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CHEBI:227671 - Oxytropiol E

ChEBI IDCHEBI:227671
ChEBI NameOxytropiol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC(C)C1=C[C@H]2[C@H](C(CO)=CC1=O)[C@@H](O)C[C@H]2C
InChIInChI=1S/C15H22O3/c1-8(2)11-6-12-9(3)4-14(18)15(12)10(7-16)5-13(11)17/h5-6,8-9,12,14-16,18H,4,7H2,1-3H3/t9-,12-,14+,15+/m1/s1
InChIKeyJMIVMPNXCOQVLE-GXTAWKLYSA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol E (CHEBI:227671) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3S,3aR,8aS)-3-hydroxy-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,8a-tetrahydro-1H-azulen-6-one