(Q115950701)

English

(2S,2'S,3S,3'S,4S)-3,3',4,4'-Tetrahydro-2'beta-(3,4-dihydroxyphenyl)-2beta-(4-hydroxyphenyl)-4alpha,8'-bi[2H-1-benzopyran]-3beta,3'beta,5,5',7,7'-hexol

chemical compound

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instance of

type of chemical entity

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subclass of

(4->8)-proanthocyanidin

1 reference

based on heuristic

inferred from SMILES

mass

562.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Epiafzelechin-(4beta-8)-ent-epicatechin

2 references

based on heuristic

inferred from InChIKey

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inferred from InChIKey

based on heuristic

inferred from InChI

(+)-Afzelechin-(4alpha,8)-(+)-catechin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

ent-Epiafzelechin-(4alpha-8)-epicatechin

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

Epiafzelechin-(4beta-8)-epicatechin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₆O₁₁

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canonical SMILES

OC1=CC=C(C=C1)C2OC=3C=C(O)C=C(O)C3C(C=4C(O)=CC(O)=C5C4OC(C6=CC=C(O)C(O)=C6)C(O)C5)C2O

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isomeric SMILES

Oc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@H](c3c(O)cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@@H]2O)cc1

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found in taxon

Cassia fistula

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stated in

Identifiers

InChI

InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28-,29-/m0/s1

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InChIKey

KUODBSWFMJMVJV-WQJHFXEDSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KUODBSWFMJMVJV-WQJHFXEDSA-N

1 reference

(Q115950701)

(2S,2'S,3S,3'S,4S)-3,3',4,4'-Tetrahydro-2'beta-(3,4-dihydroxyphenyl)-2beta-(4-hydroxyphenyl)-4alpha,8'-bi[2H-1-benzopyran]-3beta,3'beta,5,5',7,7'-hexol

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