(Q110200539)

English

1-O-[3-[3-hydroxy-5-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] 5-O-methyl 3-(3-acetyloxy-1,4,5-trihydroxycyclohexanecarbonyl)oxy-3-methylpentanedioate

group of stereoisomers with the chemical formula C₃₂H₄₄O₁₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

732.2476791880001 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₄O₁₉

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canonical SMILES

O=C(OC1CC(O)(C(=O)OC(C)(CC(=O)OC)CC(=O)OCC=CC2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2)CC(O)C1O)C

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Identifiers

InChI

InChI=1S/C32H44O19/c1-15(34)48-20-11-32(44,10-18(36)24(20)39)30(43)51-31(2,12-22(37)46-4)13-23(38)47-7-5-6-16-8-17(35)28(19(9-16)45-3)50-29-27(42)26(41)25(40)21(14-33)49-29/h5-6,8-9,18,20-21,24-27,29,33,35-36,39-42,44H,7,10-14H2,1-4H3

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InChIKey

JKGFJKSBLHABGR-UHFFFAOYSA-N

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PubChem CID

85278769

1 reference

based on heuristic

inferred from InChIKey

(Q110200539)

1-O-[3-[3-hydroxy-5-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] 5-O-methyl 3-(3-acetyloxy-1,4,5-trihydroxycyclohexanecarbonyl)oxy-3-methylpentanedioate

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