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CHEBI:191560 - P-Coumaroyl vitisin A

ChEBI IDCHEBI:191560
ChEBI NameP-Coumaroyl vitisin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H31O16
Net Charge+1
Average Mass707.617
Monoisotopic Mass707.16066
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4oc(C(=O)O)cc(c2OC2O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]2O)c43)cc(OC)c1O
InChIInChI=1S/C35H30O16/c1-45-22-9-16(10-23(46-2)28(22)39)32-33(19-13-24(34(43)44)48-20-11-18(37)12-21(49-32)27(19)20)51-35-31(42)30(41)29(40)25(50-35)14-47-26(38)8-5-15-3-6-17(36)7-4-15/h3-13,25,29-31,35-36,39-42H,14H2,1-2H3,(H,43,44)/p+1/b8-5+/t25-,29-,30+,31-,35?/m1/s1
InChIKeyPYUXYCIEXJYNLI-AMHUYZMWSA-O
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
P-Coumaroyl vitisin A (CHEBI:191560) is a flavonoid (CHEBI:47916)
P-Coumaroyl vitisin A (CHEBI:191560) is a glycoside (CHEBI:24400)
IUPAC Name 
[7-carboxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium