(Q105204285)

English

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2S)-2-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside

1 reference

based on heuristic

inferred from SMILES

mass

664.273106088 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₄O₁₄

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canonical SMILES

OCC1OC(OC2=CC=C3C(OC(C4=CC=C(OC)C=C4OC5OC(CO)C(O)C(O)C5O)CC3)=C2CC=C(C)C)C(O)C(O)C1O

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isomeric SMILES

COc1ccc([C@@H]2CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(CC=C(C)C)c3O2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1

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found in taxon

Morus alba

1 reference

stated in

Studies on the constituents of the leaves of Morus alba L.

Identifiers

InChI

InChI=1S/C33H44O14/c1-15(2)4-8-19-21(44-32-29(40)27(38)25(36)23(13-34)46-32)11-6-16-5-10-20(43-31(16)19)18-9-7-17(42-3)12-22(18)45-33-30(41)28(39)26(37)24(14-35)47-33/h4,6-7,9,11-12,20,23-30,32-41H,5,8,10,13-14H2,1-3H3/t20-,23+,24+,25+,26+,27-,28-,29+,30+,32+,33+/m0/s1

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InChIKey

OZZNZDSQQZCOEV-YQRMPHATSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZZNZDSQQZCOEV-YQRMPHATSA-N

(Q105204285)

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2S)-2-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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