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CHEBI:169585 - Okanin 4'-(6''-p-coumarylglucoside)

ChEBI IDCHEBI:169585
ChEBI NameOkanin 4'-(6''-p-coumarylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O13
Net Charge0
Average Mass596.541
Monoisotopic Mass596.15299
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccc(O)c(O)c3)c(O)c2O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H28O13/c31-17-6-1-15(2-7-17)5-12-24(35)41-14-23-27(38)28(39)29(40)30(43-23)42-22-11-8-18(25(36)26(22)37)19(32)9-3-16-4-10-20(33)21(34)13-16/h1-13,23,27-31,33-34,36-40H,14H2/b9-3+,12-5+/t23?,27-,28+,29?,30-/m1/s1
InChIKeySJGXLSYEYLGFRT-XGMJVMPPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Okanin 4'-(6''-p-coumarylglucoside) (CHEBI:169585) is a flavonoids (CHEBI:72544)
Okanin 4'-(6''-p-coumarylglucoside) (CHEBI:169585) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12120158LIPID MAPS
24845920ChemSpider