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`Page 1 of 14
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`NIH
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`U.S. National Library of Medicine
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`National Center for Biotechnology Information
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`Search Compounds
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`
`
` Cite this Record
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` Compound Summary for CID 6440876
`
`Gantrez ES 425
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`
`
`
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`STRUCTURE
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`VENDORS
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`PATENTS
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`PubChem CID:
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`6440876
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`Chemical Names:
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`Gantrez ES 425; Butyl ester of pvm/MA; 2-Butenedioic acid (Z)-, monobutyl ester,
`polymer with methoxyethene; 2-Butenedioic acid (2Z)-, monobutyl ester, polymer
`with methoxyethene; 25119-68-0; 2-Butenedioic acid (Z)-, polymer with
`
`methoxyethene, butyl ester
`
`More...
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`Molecular Formula:
`
`Molecular Weight:
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`C H O
`11
`18
`5
`230.26 g/mol
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`InChI Key:
`
`VVMKVFQYONGBPV-MKWAYWHRSA-N
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`PUBCHEM
`
`
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`COMPOUND
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`
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`GANTREZ ES 425
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`Modify Date: 2017-05-20; Create Date: 2006-04-28
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`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
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`5/26/2017
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`FlatWing Ex. 1025, p. 1
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 2 of 14
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` Contents
`1 2D Structure
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`2 3D Conformer
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`3 Names and Identifiers
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`3.1 Computed Descriptors
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`3.1.1 IUPAC Name
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`3.1.2 InChI
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`3.1.3 InChI Key
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`3.1.4 Canonical SMILES
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`3.1.5 Isomeric SMILES
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`3.2 Molecular Formula
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`3.3 Other Identifiers
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`3.3.1 CAS
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`3.4 Synonyms
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`3.4.1 Depositor-Supplied Synonyms
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`4 Chemical and Physical Properties
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`4.1 Computed Properties
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`5 Related Records
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`5.1 Related Compounds with Annotation
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`5.2 Parent Compound
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`5.3 Related Compounds
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`5.4 Substances
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`5.4.1 Related Substances
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`5.4.2 Substances by Category
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`6 Chemical Vendors
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`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
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`5/26/2017
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`FlatWing Ex. 1025, p. 2
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`
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 3 of 14
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`7 Patents
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`7.1 Depositor-Supplied Patent Identifiers
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`8 Classification
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`8.1 Ontologies
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`8.1.1 WIPO IPC
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`9 Information Sources
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`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
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`5/26/2017
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`FlatWing Ex. 1025, p. 3
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`
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 4 of 14
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`1 2D Structure
`
` Search
`
` Download
`
` Get Image
`
` Magnify
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
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`FlatWing Ex. 1025, p. 4
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`
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 5 of 14
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`2 3D Conformer
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`3D Conformer of Parent Compound Monobutyl Maleate (CID 5356726)
`
` Search
`
` Download
`
` Get Image
`
`CLICK TO LOAD...
`
` Magnify
`
` Show Hydrogens
`
` Show Atoms
`
` Animate
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 5
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`
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 6 of 14
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`3 Names and Identifiers
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`3.1 Computed Descriptors
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`3.1.1 IUPAC Name
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`(Z)-4-butoxy-4-oxobut-2-enoic acid;methoxyethene
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`3.1.2 InChI
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`InChI=1S/C8H12O4.C3H6O/c1-2-3-6-12-8(11)5-4-7(9)10;1-3-4-2/h4-5H,2-3,6H2,1H3,(H,9,10);3H,1H2,2H3/b5-
`4-;
`
` from PubChem
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`3.1.3 InChI Key
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`VVMKVFQYONGBPV-MKWAYWHRSA-N
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`3.1.4 Canonical SMILES
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`CCCCOC(=O)C=CC(=O)O.COC=C
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`3.1.5 Isomeric SMILES
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`CCCCOC(=O)/C=C\C(=O)O.COC=C
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`3.2 Molecular Formula
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`C H O
`11
`18
`5
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`3.3 Other Identifiers
`
` from PubChem
`
` from PubChem
`
` from PubChem
`
` from PubChem
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` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 6
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`
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 7 of 14
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`3.3.1 CAS
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`25119-68-0
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`3.4 Synonyms
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` from ChemIDplus
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`3.4.1 Depositor-Supplied Synonyms
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`1. Gantrez ES 425
`2. Butyl ester of pvm/MA
`3. 2-Butenedioic acid (Z)-, monobutyl ester, polymer with methoxyethene
`4. 2-Butenedioic acid (2Z)-, monobutyl ester, polymer with methoxyethene
`5. 25119-68-0
`6. 2-Butenedioic acid (Z)-, polymer with methoxyethene, butyl ester
`7. UNII-389H2R62BD
`8. AC1O5UCV
`9. SCHEMBL1092748
`10. 2-Butenedioic acid (2Z)-, 1-butyl ester, polymer with methoxyethene
`
`
`11. 54578-91-5
`12. AN-17627
`13. LP006798
`14. LS-47007
`15.
`(Z)-4-butoxy-4-oxobut-2-enoic acid; methoxyethene
`16.
`(Z)-4-butoxy-4-oxo-but-2-enoic acid; methoxyethylene
`17.
`(2Z)-4-BUTOXY-4-OXOBUT-2-ENOIC ACID; METHYL VINYL ETHER
`
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
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`FlatWing Ex. 1025, p. 7
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`
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 8 of 14
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`4 Chemical and Physical Properties
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`4.1 Computed Properties
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`Property Name
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`Molecular Weight
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`Hydrogen Bond Donor Count
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`Hydrogen Bond Acceptor Count
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`Rotatable Bond Count
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`Complexity
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`CACTVS Substructure Key Fingerprint
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`Topological Polar Surface Area
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`Monoisotopic Mass
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`Exact Mass
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`Compound Is Canonicalized
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`Formal Charge
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`Heavy Atom Count
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`Defined Atom Stereocenter Count
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`Undefined Atom Stereocenter Count
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`Defined Bond Stereocenter Count
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`Undefined Bond Stereocenter Count
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`Isotope Atom Count
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`Covalently-Bonded Unit Count
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`Property Value
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`230.26 g/mol
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`1
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`5
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`7
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`201
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`AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAA
`AAAAAAAAAAAAAAAAGgAACAAACACggAICCAAAB
`gCIACDSCAAACAAAAAAICAAAAEAABAAAIAACEAA
`EAAAAMYAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
`AAAAA
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`72.8 A^2
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`230.115 g/mol
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`230.115 g/mol
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`true
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`0
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`16
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`0
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`0
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`1
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`0
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`0
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`2
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` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 8
`
`
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 9 of 14
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`5 Related Records
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`5.1 Related Compounds with Annotation
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`CLICK TO LOAD...
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` from PubChem
`
` from PubChem
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` from PubChem
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`5.2 Parent Compound
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`Parent Compound
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`Monobutyl maleate (CID 5356726)
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`5.3 Related Compounds
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`Same Connectivity
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`2 records
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`Same Parent, Connectivity
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`32 records
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`Same Parent, Exact
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`20 records
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`Mixtures, Components, and
`Neutralized Forms
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`2 records
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`Similar Compounds
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`236 records
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`5.4 Substances
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`5.4.1 Related Substances
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`Same
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`12 records
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`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 9
`
`
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`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 10 of 14
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`5.4.2 Substances by Category
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`CLICK TO LOAD...
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` from PubChem
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 10
`
`
`
`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 11 of 14
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`6 Chemical Vendors
`
`CLICK TO LOAD...
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 11
`
`
`
`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 12 of 14
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`7 Patents
`
`7.1 Depositor-Supplied Patent Identifiers
`
`CLICK TO LOAD...
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 12
`
`
`
`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 13 of 14
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`8 Classification
`
`8.1 Ontologies
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`8.1.1 WIPO IPC
`
`CLICK TO LOAD...
`
` from WIPO
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 13
`
`
`
`Gantrez ES 425 | C11H18O5 - PubChem
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`Page 14 of 14
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`9 Information Sources
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`1. ChemIDplus /source/ChemIDplus
`Gantrez ES 425
`https://chem.nlm.nih.gov/chemidplus/sid/0025119680 https://chem.nlm.nih.gov/chemidplus/sid/0025119680
`
`2. PubChem
`Data deposited in or computed by PubChem
`https://pubchem.ncbi.nlm.nih.gov https://pubchem.ncbi.nlm.nih.gov
`
`3. WIPO /source/WIPO
`International Patent Classification
`http://www.wipo.int/classifications/ipc/ http://www.wipo.int/classifications/ipc/
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`FlatWing Ex. 1025, p. 14
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`