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CHEBI:227660 - Oxytropiol C

ChEBI IDCHEBI:227660
ChEBI NameOxytropiol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC(C)C1=C[C@@H]2[C@H](C)CC(=O)[C@H]2[C@](O)(CO)CC1=O
InChIInChI=1S/C15H22O4/c1-8(2)10-5-11-9(3)4-12(17)14(11)15(19,7-16)6-13(10)18/h5,8-9,11,14,16,19H,4,6-7H2,1-3H3/t9-,11-,14+,15-/m1/s1
InChIKeyURUFDILVJMYHIE-CJIMWGSBSA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol C (CHEBI:227660) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,3aS,8S,8aR)-8-hydroxy-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-3,3a,7,8a-tetrahydro-2H-azulene-1,6-dione