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CHEBI:211858 - Deacetylsesquiterpene

ChEBI IDCHEBI:211858
ChEBI NameDeacetylsesquiterpene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@]2(O)[C@@H]1C=C(C)[C@@H](O)[C@@H]2O
InChIInChI=1S/C15H24O3/c1-8(2)11-6-5-10(4)15(18)12(11)7-9(3)13(16)14(15)17/h7,10-14,16-18H,1,5-6H2,2-4H3/t10-,11+,12-,13-,14+,15-/m1/s1
InChIKeyHDMGZVUWLBSYIE-ZAQNNHEOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (26771621)
ChEBI Ontology
Outgoing Relation(s)
Deacetylsesquiterpene (CHEBI:211858) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2R,4aR,5R,8R,8aR)-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalene-1,2,8a-triol
Manual XrefsDatabases
58196495ChemSpider