EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169856 - Chrysoeriol 7-(3''-Z-p-coumaroylglucoside)

ChEBI IDCHEBI:169856
ChEBI NameChrysoeriol 7-(3''-Z-p-coumaroylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O13
Net Charge0
Average Mass608.552
Monoisotopic Mass608.15299
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](OC(=O)/C=C\c5ccc(O)cc5)C4O)cc3o2)ccc1O
InChIInChI=1S/C31H28O13/c1-40-23-10-16(5-8-19(23)34)22-13-21(36)27-20(35)11-18(12-24(27)42-22)41-31-29(39)30(28(38)25(14-32)43-31)44-26(37)9-4-15-2-6-17(33)7-3-15/h2-13,25,28-35,38-39H,14H2,1H3/b9-4-/t25?,28-,29?,30+,31-/m1/s1
InChIKeyAZHOJNKUISNFQR-PZDXCHFPSA-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)
Chrysoeriol 7-(3''-Z-p-coumaroylglucoside) (CHEBI:169856) is a flavonoids (CHEBI:72544)
Chrysoeriol 7-(3''-Z-p-coumaroylglucoside) (CHEBI:169856) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,4S,5R)-3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24843814ChemSpider
LMPK12110791LIPID MAPS