(Q104917970)

English

(2R,2'R)-2alpha-(3,4,5-Trihydroxyphenyl)-2'alpha-(3,4-dihydroxyphenyl)-3alpha-(galloyloxy)-4beta,8'-bichroman-3'beta,5,5',7,7'-pentol

chemical compound

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instance of

type of chemical entity

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subclass of

[4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

746.1482995 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₃₀O₁₇

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canonical SMILES

O=C(OC1C(OC=2C=C(O)C=C(O)C2C1C=3C(O)=CC(O)=C4C3OC(C5=CC=C(O)C(O)=C5)C(O)C4)C6=CC(O)=C(O)C(O)=C6)C7=CC(O)=C(O)C(O)=C7

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isomeric SMILES

O=C(O[C@H]1[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2)c1cc(O)c(O)c(O)c1

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found in taxon

Hamamelis virginiana

1 reference

stated in

Galloylhamameloses and proanthocyanidins from Hamamelis virginiana

Quercus robur

1 reference

stated in

Study of the catechins and proanthocyanidins ofQuercus robur

Identifiers

InChI

InChI=1S/C37H30O17/c38-15-8-20(42)28-27(9-15)52-34(13-4-22(44)31(49)23(45)5-13)36(54-37(51)14-6-24(46)32(50)25(47)7-14)30(28)29-21(43)11-18(40)16-10-26(48)33(53-35(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,26,30,33-34,36,38-50H,10H2/t26-,30+,33+,34+,36+/m0/s1

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InChIKey

ASOODBVVZLZXTM-MHHZBQAMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ASOODBVVZLZXTM-MHHZBQAMSA-N

1 reference

(Q104917970)

(2R,2'R)-2alpha-(3,4,5-Trihydroxyphenyl)-2'alpha-(3,4-dihydroxyphenyl)-3alpha-(galloyloxy)-4beta,8'-bichroman-3'beta,5,5',7,7'-pentol

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