(Q104920654)

English

3-[6-O-(3,4,5-Trihydroxybenzoyl)beta-D-glucopyranosyloxy]-4',5,7-trihydroxy-3'-methoxyflavone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

630.122084752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₂₆O₁₆

0 references

canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(OC)C4)C(O)C(O)C1O)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O

0 references

found in taxon

Quercus cerris

1 reference

stated in

Constituents of cupuliferae, XII. Minor acylated flavonoids fromQuercus cerris L

Identifiers

InChI

InChI=1S/C29H26O16/c1-41-17-6-10(2-3-13(17)31)26-27(23(37)20-14(32)7-12(30)8-18(20)43-26)45-29-25(39)24(38)22(36)19(44-29)9-42-28(40)11-4-15(33)21(35)16(34)5-11/h2-8,19,22,24-25,29-36,38-39H,9H2,1H3/t19-,22-,24+,25-,29+/m1/s1

0 references

InChIKey

AXNDDQYIYNIUAJ-GDDOJEIXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXNDDQYIYNIUAJ-GDDOJEIXSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

AXNDDQYIYNIUAJ-GDDOJEIXSA-N

(Q104920654)

3-[6-O-(3,4,5-Trihydroxybenzoyl)beta-D-glucopyranosyloxy]-4',5,7-trihydroxy-3'-methoxyflavone

Statements

Identifiers

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