(Q115950700)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4->8)-proanthocyanidin

1 reference

based on heuristic

inferred from SMILES

mass

546.152597032 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Epiafzelechin-(4beta-8)-epiafzelechin

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

afzelechin-(4alpha->8)-afzelechin

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based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₆O₁₀

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canonical SMILES

OC1=CC=C(C=C1)C2OC=3C(=C(O)C=C(O)C3C4C=5C(O)=CC(O)=CC5OC(C6=CC=C(O)C=C6)C4O)CC2O

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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)cc3)[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/C30H26O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-21(36)25(30(18)40-28)26-24-20(35)9-17(33)10-23(24)39-29(27(26)38)14-3-7-16(32)8-4-14/h1-10,12,22,26-29,31-38H,11H2/t22-,26-,27-,28-,29-/m0/s1

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InChIKey

JESPWQGCCOLVKQ-WQJHFXEDSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

JESPWQGCCOLVKQ-WQJHFXEDSA-N

1 reference

(Q115950700)

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

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Identifiers

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