EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186320 - Pelargonidin 3-rhamnoside

Default Structure
ChEBI IDCHEBI:186320
ChEBI NamePelargonidin 3-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O9
Net Charge+1
Average Mass417.390
Monoisotopic Mass417.11801
SMILESCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C21H20O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-9,17-19,21,25-27H,1H3,(H2-,22,23,24)/p+1/t9?,17-,18?,19-,21-/m0/s1
InChIKeyRFOBAKWGJRIIMU-NXNGTVNRSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pelargonidin 3-rhamnoside (CHEBI:186320) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,3S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
24842138ChemSpider
LMPK12010091LIPID MAPS