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CHEBI:192932 - Kaempferol 3-(2''-p-coumarylglucoside)

Default Structure
ChEBI IDCHEBI:192932
ChEBI NameKaempferol 3-(2''-p-coumarylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O13
Net Charge0
Average Mass594.525
Monoisotopic Mass594.13734
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@@H]1C(O)[C@H](O)C(CO)O[C@H]1Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C30H26O13/c31-13-21-24(37)26(39)29(42-22(36)10-3-14-1-6-16(32)7-2-14)30(41-21)43-28-25(38)23-19(35)11-18(34)12-20(23)40-27(28)15-4-8-17(33)9-5-15/h1-12,21,24,26,29-35,37,39H,13H2/b10-3+/t21?,24-,26?,29-,30+/m1/s1
InChIKeyIKONEAPXVKTZFF-QCHUYJAOSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2''-p-coumarylglucoside) (CHEBI:192932) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2''-p-coumarylglucoside) (CHEBI:192932) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24844533ChemSpider
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