(Q104920183)

English

3-[(2S,3R,4S,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-oxopropanoic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

flavylium compound

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535.10823183609 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Cyanidin 3-(3''-malonylglucoside)

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₃O₁₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)CC(=O)OC1C(O)C(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)OC(CO)C1O

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isomeric SMILES

O=C(O)CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H]1O

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Garlic (allium sativum)

1 reference

Malonated anthocyanins of garlic Allium sativum L.

Identifiers

InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1/t17-,20+,21+,23-,24+/m0/s1

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AWPCCUSBXWEBBS-LEGFMSBLSA-O

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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