EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174948 - Dihydrocumambrin A

ChEBI IDCHEBI:174948
ChEBI NameDihydrocumambrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESCC(=O)OC1CC(C)(O)C2CC=C(C)C2C2OC(=O)C(C)C12
InChIInChI=1S/C17H24O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,9,11-15,20H,6-7H2,1-4H3
InChIKeyACKIMLHJQRKFGM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dihydrocumambrin A (CHEBI:174948) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]uran-4-yl) acetate
Manual XrefsDatabases
HMDB0036489HMDB
35014159ChemSpider