EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172601 - Linusitamarin

ChEBI IDCHEBI:172601
ChEBI NameLinusitamarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O9
Net Charge0
Average Mass370.354
Monoisotopic Mass370.12638
SMILESCOC(=O)/C=C/c1cc(OC)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3+/t12-,14-,15+,16-,17-/m1/s1
InChIKeyUSFDIQKRDRIDPN-CTYIEIGBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Linusitamarin (CHEBI:172601) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl (E)-3-[3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Manual XrefsDatabases
4948216ChemSpider
Registry NumbersSources
CAS:152574-10-2ChemIDplus