CHEBI:143043 - Peonidin 3-(4-sinapoylgentiobioside)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Peonidin 3-(4-sinapoylgentiobioside)
ChEBI ID CHEBI:143043
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C39H43O20
Net Charge +1
Average Mass 831.748
Monoisotopic Mass 831.23422
InChI InChI=1S/C39H42O20/c1-51-23-10-17(5-6-20(23)42)36-26(13-19-21(43)11-18(41)12-22(19)55-36)56-39-35(50)33(48)37(28(58-39)15-54-38-34(49)32(47)31(46)27(14-40)57-38)59-29(44)7-4-16-8-24(52-2)30(45)25(9-16)53-3/h4-13,27-28,31-35,37-40,46-50H,14-15H2,1-3H3,(H3-,41,42,43,44,45)/p+1
InChIKey GHSMFVLHRTWFOO-UHFFFAOYSA-O
SMILES O1C(C(OC(=O)/C=C/C2=CC(OC)=C(O)C(OC)=C2)C(O)C(O)C1OC=3C(=[O+]C=4C(C3)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)COC6OC(C(O)C(O)C6O)CO
Metabolite of Species Details
Solanum lycopersicum (NCBI:txid4081) Found in leaf (BTO:0000713). of strain Solanum lycopersicum cv. Santa Cruz Kada See: MetaboLights Study
ChEBI Ontology
Outgoing Peonidin 3-(4-sinapoylgentiobioside) (CHEBI:143043) is a flavonoids (CHEBI:72544)
Peonidin 3-(4-sinapoylgentiobioside) (CHEBI:143043) is a glycoside (CHEBI:24400)
Citation Waiting for Citations Type Source
30558273 PubMed citation SUBMITTER