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CHEBI:227696 - Oxytropiol J

ChEBI IDCHEBI:227696
ChEBI NameOxytropiol J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESCC(C)C1=CC2C(CC[C@@]2(C)O)[C@@](O)(CO)CC1
InChIInChI=1S/C15H26O3/c1-10(2)11-4-7-15(18,9-16)12-5-6-14(3,17)13(12)8-11/h8,10,12-13,16-18H,4-7,9H2,1-3H3/t12?,13?,14-,15+/m1/s1
InChIKeyIBEULDMGWROYNC-CVSAEHQPSA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol J (CHEBI:227696) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4R)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol