(Q115785213)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4->8)-proanthocyanidin

1 reference

based on heuristic

inferred from SMILES

mass

730.15338488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

procyanidin B1 3-O-gallate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

procyanidin B3 3-O-gallate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

procyanidin B2 3-O-gallate

1 reference

based on heuristic

inferred from InChI

(4S)-2beta,2'beta-Bis(3,4-dihydroxyphenyl)-3beta-(galloyloxy)-3,3',4,4'-tetrahydro-4,8'-bi[2H-1-benzopyran]-3'beta,5,5',7,7'-pentol

1 reference

based on heuristic

inferred from InChI

procyanidin B4 3-O-gallate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₃₀O₁₆

0 references

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=C(O)C(O)=C6)C7=CC(O)=C(O)C(O)=C7

0 references

isomeric SMILES

O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

0 references

found in taxon

Rhododendron

1 reference

stated in

Identification and characterization of proanthocyanidins of 16 members of the Rhododendron genus (Ericaceae) by tandem LC-MS.

Identifiers

InChI

InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2/t27-,31+,33-,34+,36+/m0/s1

0 references

InChIKey

BXWABJPTCUDBMM-BICGMBOKSA-N

0 references

2 references

21 December 2022

inferred from InChIKey

matched by identifier from

InChIKey

BXWABJPTCUDBMM-BICGMBOKSA-N

(Q115785213)

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

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Identifiers

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