EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186815 - Apigenin 7-glucuronide-4'-rhamnoside

ChEBI IDCHEBI:186815
ChEBI NameApigenin 7-glucuronide-4'-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O15
Net Charge0
Average Mass592.506
Monoisotopic Mass592.14282
SMILESCC1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@@H](C(=O)O)[C@@H](O)C(O)C5O)cc4o3)cc2)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C27H28O15/c1-9-18(30)19(31)22(34)26(38-9)39-11-4-2-10(3-5-11)15-8-14(29)17-13(28)6-12(7-16(17)41-15)40-27-23(35)20(32)21(33)24(42-27)25(36)37/h2-9,18-24,26-28,30-35H,1H3,(H,36,37)/t9?,18-,19?,20?,21-,22-,23?,24+,26-,27+/m0/s1
InChIKeyIYSVAHHNEAGSMC-FEMXOOCDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-glucuronide-4'-rhamnoside (CHEBI:186815) is a flavonoids (CHEBI:72544)
Apigenin 7-glucuronide-4'-rhamnoside (CHEBI:186815) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2R,3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12110362LIPID MAPS
24843416ChemSpider