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CHEBI:227655 - Oxytropiol B

ChEBI IDCHEBI:227655
ChEBI NameOxytropiol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](O)(CO)CC1=O
InChIInChI=1S/C15H24O4/c1-9(2)10-6-12-11(4-5-14(12,3)18)15(19,8-16)7-13(10)17/h6,9,11-12,16,18-19H,4-5,7-8H2,1-3H3/t11-,12+,14+,15-/m1/s1
InChIKeyWUIOZAKKHFQTAA-PAPYEOQZSA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol B (CHEBI:227655) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,3aS,8S,8aR)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-2,3a,7,8a-tetrahydro-1H-azulen-6-one