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CHEBI:192448 - Petunidin 3-(6''-p-coumaroyl-glucoside)

ChEBI IDCHEBI:192448
ChEBI NamePetunidin 3-(6''-p-coumaroyl-glucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H29O14
Net Charge+1
Average Mass625.559
Monoisotopic Mass625.15518
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O
InChIInChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31,38-40H,13H2,1H3,(H4-,32,33,34,35,36,37)/p+1/t24-,27-,28+,29-,31?/m1/s1
InChIKeyKTFQEFWNLAUGAX-YQUABMASSA-O
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Petunidin 3-(6''-p-coumaroyl-glucoside) (CHEBI:192448) is a flavonoids (CHEBI:72544)
Petunidin 3-(6''-p-coumaroyl-glucoside) (CHEBI:192448) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate