(Q110184503)

English

Kaempferol 3-(6''-malonylglucoside)

group of stereoisomers with the chemical formula C₂₄H₂₂O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

534.100955384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₂O₁₄

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canonical SMILES

O=C(O)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(O)C(O)C1O

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isomeric SMILES

O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O

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found in taxon

Vitex negundo var. cannabifolia

1 reference

stated in

Identification and quantification of phenolic compounds in Vitex negundo L. var. cannabifolia (Siebold et Zucc.) Hand.-Mazz. using liquid chromatography combined with quadrupole time-of-flight and triple quadrupole mass spectrometers

Identifiers

InChI

InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18-,20?,21?,24+/m1/s1

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InChIKey

XEXCLTHHXIWUHO-NHODZQDWSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q110184503)

Kaempferol 3-(6''-malonylglucoside)

Statements

Identifiers

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