(Q105198592)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavylium compound

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mass

579.13444658409 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Malvidin 3-(6''-malonylglucoside)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₇O₁₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=C(OC)C(O)=C(OC)C4)C(O)C(O)C1O

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isomeric SMILES

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O

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found in taxon

Malva subovata

1 reference

stated in

Anthocyanins of Cephaelis, Cynomorium, Euterpe, Lavatera and Pinanga

Malva wigandii

1 reference

stated in

Anthocyanins of Cephaelis, Cynomorium, Euterpe, Lavatera and Pinanga

Malva tournefortiana

1 reference

stated in

Anthocyanins of Cephaelis, Cynomorium, Euterpe, Lavatera and Pinanga

Identifiers

InChI

InChI=1S/C26H26O15/c1-36-15-3-10(4-16(37-2)21(15)32)25-17(7-12-13(28)5-11(27)6-14(12)39-25)40-26-24(35)23(34)22(33)18(41-26)9-38-20(31)8-19(29)30/h3-7,18,22-24,26,33-35H,8-9H2,1-2H3,(H3-,27,28,29,30,32)/p+1/t18-,22+,23-,24-,26-/m1/s1

0 references

InChIKey

ORZQHBRJUMAOIF-RMILRPCASA-O

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ORZQHBRJUMAOIF-RMILRPCASA-O

(Q105198592)

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

Statements

Identifiers

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