(Q105349352)

English

(2R,3S)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(4->8)-proanthocyanidin

1 reference

based on heuristic

inferred from SMILES

mass

594.137340892 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(-)-epicatechin-(4beta->8)-(+)-gallocatechin

1 reference

based on heuristic

inferred from InChIKey

(+)-catechin-(4alpha->8)-(-)-epigallocatechin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(-)-epicatechin-(4beta->8)-(-)-epigallocatechin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₆O₁₃

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canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC(O)=C(O)C(O)=C6)C(O)C5)C1

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isomeric SMILES

Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2

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found in taxon

broad bean

1 reference

stated in

UHPLC-ESI-QTOF-MS-based metabolic profiling of Vicia faba L. (Fabaceae) seeds as a key strategy for characterization in foodomics

Identifiers

InChI

InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25-,27-,28+,29+/m0/s1

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InChIKey

YJMNEZANCYQLJR-SMSOEIQDSA-N

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1 reference

26 December 2021

1 reference

(Q105349352)

(2R,3S)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

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Identifiers

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