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CHEBI:206079 - Eremophil-9-ene-11,12,13-triol

ChEBI IDCHEBI:206079
ChEBI NameEremophil-9-ene-11,12,13-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESC[C@@H]1CCCC2=CC[C@@H](C(O)(CO)CO)C[C@]21C
InChIInChI=1S/C15H26O3/c1-11-4-3-5-12-6-7-13(8-14(11,12)2)15(18,9-16)10-17/h6,11,13,16-18H,3-5,7-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyLWSHSEQWAHXOGT-BNOWGMLFSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies A240 (ncbitaxon:795882) - DOI (10.1002/hlca.201300367)
ChEBI Ontology
Outgoing Relation(s)
Eremophil-9-ene-11,12,13-triol (CHEBI:206079) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2,3-triol
Manual XrefsDatabases
78441264ChemSpider