(Q104980226)

English

1-[3,5-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-11-methyl-12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]ethanone

group of stereoisomers with the chemical formula C₂₇H₃₂O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

580.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₁₄

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canonical SMILES

O=C(C)C1(OC2(OC=3C=C(O)C=C(O)C3C1C2OC4OC(CO)C(O)C(O)C4O)C5=CC(OC)=C(O)C(OC)=C5)C

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found in taxon

Vitis vinifera

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stated in

Castavinol, a new series of polyphenols from Bordeaux red wines

Identifiers

InChI

InChI=1S/C27H32O14/c1-10(29)26(2)19-18-13(31)7-12(30)8-14(18)40-27(41-26,11-5-15(36-3)20(32)16(6-11)37-4)24(19)39-25-23(35)22(34)21(33)17(9-28)38-25/h5-8,17,19,21-25,28,30-35H,9H2,1-4H3

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InChIKey

DHJQGIFMZKHMDS-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DHJQGIFMZKHMDS-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0029814

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DHJQGIFMZKHMDS-UHFFFAOYSA-N

(Q104980226)

1-[3,5-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-11-methyl-12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]ethanone

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Identifiers

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