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CHEBI:191610 - Tomenin

ChEBI IDCHEBI:191610
ChEBI NameTomenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O10
Net Charge0
Average Mass384.337
Monoisotopic Mass384.10565
SMILESCOc1cc2oc(=O)ccc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1OC
InChIInChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(16(9)24-2)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3/t10-,12-,13+,14-,17+/m1/s1
InChIKeyDHNNEMKGTXETQO-HFVZKWEFSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Tomenin (CHEBI:191610) is a coumarins (CHEBI:23403)
Tomenin (CHEBI:191610) is a glycoside (CHEBI:24400)
IUPAC Name 
6,7-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Manual XrefsDatabases
103884762ChemSpider