EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227650 - Oxytropiol A

ChEBI IDCHEBI:227650
ChEBI NameOxytropiol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC(C)C1=C[C@H]2[C@@H]([C@@H](O)C[C@H]2C)[C@](O)(CO)CC1=O
InChIInChI=1S/C15H24O4/c1-8(2)10-5-11-9(3)4-12(17)14(11)15(19,7-16)6-13(10)18/h5,8-9,11-12,14,16-17,19H,4,6-7H2,1-3H3/t9-,11-,12+,14+,15-/m1/s1
InChIKeyWSPHPVFQBHZBAZ-HTZLXXLYSA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol A (CHEBI:227650) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3S,3aS,4S,8aS)-3,4-dihydroxy-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-1,2,3,3a,5,8a-hexahydroazulen-6-one