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CHEBI:192522 - Tetrahydroxy-dimethoxy-flavone (syringetin) p-coumaroyl-hexoside

ChEBI IDCHEBI:192522
ChEBI NameTetrahydroxy-dimethoxy-flavone (syringetin) p-coumaroyl-hexoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O15
Net Charge0
Average Mass654.577
Monoisotopic Mass654.15847
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C32H30O15/c1-42-20-9-15(10-21(43-2)25(20)38)29-31(26(39)24-18(36)11-17(35)12-19(24)44-29)47-32-28(41)27(40)30(22(13-33)45-32)46-23(37)8-5-14-3-6-16(34)7-4-14/h3-12,22,27-28,30,32-36,38,40-41H,13H2,1-2H3/b8-5+/t22-,27-,28-,30-,32+/m1/s1
InChIKeyCNQFAVVHHRNBPP-ZOPOATFXSA-N
Species of MetaboliteComponentSourceComments
Vitis (ncbitaxon:3603) berry (BTO:0000119) MetaboLights (MTBLS4202)
ChEBI Ontology
Outgoing Relation(s)
Tetrahydroxy-dimethoxy-flavone (syringetin) p-coumaroyl-hexoside (CHEBI:192522) is a flavonoids (CHEBI:72544)
Tetrahydroxy-dimethoxy-flavone (syringetin) p-coumaroyl-hexoside (CHEBI:192522) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate