(Q104910146)

English

3-oxo-3-[[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavylium compound

0 references

mass

711.17670532009 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Peonidin 3-(6'-malonylglucoside)-5-glucoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₅O₁₉⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=CC(O)=C(OC)C5)C(O)C(O)C1O

0 references

isomeric SMILES

COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)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/C31H34O19/c1-44-17-4-11(2-3-14(17)34)29-18(48-31-28(43)26(41)24(39)20(50-31)10-45-22(37)8-21(35)36)7-13-15(46-29)5-12(33)6-16(13)47-30-27(42)25(40)23(38)19(9-32)49-30/h2-7,19-20,23-28,30-32,38-43H,8-10H2,1H3,(H2-,33,34,35,36)/p+1/t19-,20-,23+,24+,25+,26-,27-,28+,30-,31-/m1/s1

0 references

InChIKey

AEMHVTCADJQUIP-DMDUPFLNSA-O

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AEMHVTCADJQUIP-DMDUPFLNSA-O

(Q104910146)

3-oxo-3-[[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid

Statements

Identifiers

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