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CHEBI:227665 - Oxytropiol D

ChEBI IDCHEBI:227665
ChEBI NameOxytropiol D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O5
Net Charge0
Average Mass284.352
Monoisotopic Mass284.16237
SMILESCC(C)C1=C[C@H]2[C@@H]([C@@H](O)C[C@]2(C)O)[C@](O)(CO)CC1=O
InChIInChI=1S/C15H24O5/c1-8(2)9-4-10-13(12(18)5-14(10,3)19)15(20,7-16)6-11(9)17/h4,8,10,12-13,16,18-20H,5-7H2,1-3H3/t10-,12-,13-,14-,15+/m0/s1
InChIKeyHXJOTAJCSUAWIY-MFGQWXODSA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol D (CHEBI:227665) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3S,3aS,8S,8aS)-1,3,8-trihydroxy-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-2,3a,7,8a-tetrahydro-1H-azulen-6-one