(Q104909636)

English

(2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-yl]chroman-3,5,7-triol

chemical compound

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instance of

type of chemical entity

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subclass of

(2R,3R)-4-[(2R,3R)-2-(3,5-dihydroxy-4-methoxy-phenyl)-3,5,7-trihydroxy-chroman-8-yl]-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

608.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

epicatechin-(4beta->8)-4'-O-methylgallocatechin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₂₈O₁₃

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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(OC)C(O)=C6)C(O)C5)C1

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isomeric SMILES

COc1c(O)cc([C@H]2Oc3c(c(O)cc(O)c3[C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)C[C@H]2O)cc1O

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found in taxon

Gymnosporia senegalensis

1 reference

stated in

Phenolics from Maytenus senegalensis

Identifiers

InChI

InChI=1S/C31H28O13/c1-42-31-20(38)5-12(6-21(31)39)28-22(40)9-14-16(34)10-19(37)25(30(14)44-28)26-24-18(36)7-13(32)8-23(24)43-29(27(26)41)11-2-3-15(33)17(35)4-11/h2-8,10,22,26-29,32-41H,9H2,1H3/t22-,26-,27-,28-,29-/m1/s1

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InChIKey

ADKHKBZKHGJXDZ-NFJBMHMQSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

ADKHKBZKHGJXDZ-NFJBMHMQSA-N

1 reference

(Q104909636)

(2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-yl]chroman-3,5,7-triol

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