(Q123340338)

English

Peonidin 3-(6''-malonylglucoside)

chemical compound

In more languages

Statements

type of chemical entity

0 references

flavylium compound

1 reference

based on heuristic

inferred from SMILES

549.1238819000898 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

3-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₅O₁₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)ccc1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

0 references

Identifiers

InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18-,21-,22+,23-,25-/m1/s1

1 reference

based on heuristic

inferred from SMILES

CKJPGRXYFVEMFF-WVXUANQFSA-O

1 reference

based on heuristic

inferred from SMILES

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CKJPGRXYFVEMFF-WVXUANQFSA-O

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CKJPGRXYFVEMFF-WVXUANQFSA-O

0 references

Sitelinks

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Multilingual sites(0 entries)

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