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CHEBI:192436 - Kaempferol 3-(3''-p-coumarylglucoside)

ChEBI IDCHEBI:192436
ChEBI NameKaempferol 3-(3''-p-coumarylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O13
Net Charge0
Average Mass594.525
Monoisotopic Mass594.13734
SMILESO=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)C(CO)O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H]1O
InChIInChI=1S/C30H26O13/c31-13-21-24(37)28(42-22(36)10-3-14-1-6-16(32)7-2-14)26(39)30(41-21)43-29-25(38)23-19(35)11-18(34)12-20(23)40-27(29)15-4-8-17(33)9-5-15/h1-12,21,24,26,28,30-35,37,39H,13H2/b10-3+/t21?,24-,26-,28?,30+/m1/s1
InChIKeyVNHVNFCIDMAHID-OUQMCSOUSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(3''-p-coumarylglucoside) (CHEBI:192436) is a flavonoids (CHEBI:72544)
Kaempferol 3-(3''-p-coumarylglucoside) (CHEBI:192436) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
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24844534ChemSpider