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CHEBI:227691 - Oxytropiol I

ChEBI IDCHEBI:227691
ChEBI NameOxytropiol I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESC[C@@H]1CC[C@@H]2[C@@H]1C=C(C(C)(C)O)CC[C@@]2(O)CO
InChIInChI=1S/C15H26O3/c1-10-4-5-13-12(10)8-11(14(2,3)17)6-7-15(13,18)9-16/h8,10,12-13,16-18H,4-7,9H2,1-3H3/t10-,12-,13-,15-/m1/s1
InChIKeyZVMYTSXRVCZAMS-BPGGGUHBSA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol I (CHEBI:227691) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aR,4S,8aS)-4-(hydroxymethyl)-7-(2-hydroxypropan-2-yl)-1-methyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol