EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182460 - (3aR,5S,8R,8aS,9aR)-8-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,8,9,9a-hexahydroazuleno[6,5-b]furan-2,7-dione

ChEBI IDCHEBI:182460
ChEBI Name(3aR,5S,8R,8aS,9aR)-8-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,8,9,9a-hexahydroazuleno[6,5-b]furan-2,7-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILES[H][C@@]12C[C@H](C)C3=CC(=O)[C@H](O)[C@@]3(C)C[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C15H18O4/c1-7-4-12-9(8(2)14(18)19-12)6-15(3)10(7)5-11(16)13(15)17/h5,7,9,12-13,17H,2,4,6H2,1,3H3/t7-,9+,12+,13-,15-/m0/s1
InChIKeyDYBGVZNCIXACSP-XZOKFZFXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aR,5S,8R,8aS,9aR)-8-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,8,9,9a-hexahydroazuleno[6,5-b]furan-2,7-dione (CHEBI:182460) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aR,5S,8R,8aS,9aR)-8-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,8,9,9a-hexahydroazuleno[6,5-b]uran-2,7-dione
Manual XrefsDatabases
29814897ChemSpider