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CHEBI:227686 - Oxytropiol H

ChEBI IDCHEBI:227686
ChEBI NameOxytropiol H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O4
Net Charge0
Average Mass270.369
Monoisotopic Mass270.18311
SMILESCC(C)C1=C[C@H]2[C@@H]([C@@H](O)C[C@H]2C)[C@](O)(CO)C[C@H]1O
InChIInChI=1S/C15H26O4/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-,12+,13-,14+,15-/m1/s1
InChIKeyAXHRWXQRFXBANS-XGNAHEHESA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol H (CHEBI:227686) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3R,3aS,6R,8S,8aS)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-2,3,3a,6,7,8a-hexahydro-1H-azulene-1,6,8-triol