(Q115785120)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

549.12388190009 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Peonidin 3-(6''-malonylglucoside)

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

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

0 references

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)ccc1O

0 references

found in taxon

Allium cepa

1 reference

stated in

Anthocyanins with 4'-glucosidation from red onion, Allium cepa

Identifiers

InChI

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

0 references

InChIKey

CKJPGRXYFVEMFF-WXOQYFMXSA-O

0 references

2 references

21 December 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKJPGRXYFVEMFF-WXOQYFMXSA-O

1 reference

(Q115785120)

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

Statements

Identifiers

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