EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186939 - Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside

ChEBI IDCHEBI:186939
ChEBI NameKaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36O18
Net Charge0
Average Mass696.611
Monoisotopic Mass696.19016
SMILESCC1OC(Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C4OC4OCC(O)(CO)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
InChIInChI=1S/C31H36O18/c1-11-19(36)22(39)23(40)28(44-11)45-14-6-15(35)18-16(7-14)46-24(12-2-4-13(34)5-3-12)25(21(18)38)48-29-26(20(37)17(8-32)47-29)49-30-27(41)31(42,9-33)10-43-30/h2-7,11,17,19-20,22-23,26-30,32-37,39-42H,8-10H2,1H3
InChIKeyCZZJPZMXCROXOH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside (CHEBI:186939) is a flavonoids (CHEBI:72544)
Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside (CHEBI:186939) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Manual XrefsDatabases
24844617ChemSpider
LMPK12111875LIPID MAPS