(Q123340414)

English

Cyanidin 3-(3''-malonylglucoside)

chemical compound

In more languages

Statements

type of chemical entity

0 references

flavylium compound

1 reference

based on heuristic

inferred from SMILES

535.1082318360898 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

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

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(CO)OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](OC(CC(=O)O)=O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1

0 references

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-/m1/s1

1 reference

based on heuristic

inferred from SMILES

AWPCCUSBXWEBBS-FYFHWUFJSA-O

1 reference

based on heuristic

inferred from SMILES

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

AWPCCUSBXWEBBS-FYFHWUFJSA-O

DSSTox substance ID

DTXSID301299162

1 reference

matched by identifier from

AWPCCUSBXWEBBS-FYFHWUFJSA-O

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

AWPCCUSBXWEBBS-FYFHWUFJSA-O

0 references

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