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CHEBI:205839 - E-beta-trans-5,8,11-trihydroxybergamot-9-ene

ChEBI IDCHEBI:205839
ChEBI NameE-beta-trans-5,8,11-trihydroxybergamot-9-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC=C1CC[C@@]2(O)C[C@@H]1[C@]2(C)C(O)/C=C/C(C)(C)O
InChIInChI=1S/C15H24O3/c1-10-5-8-15(18)9-11(10)14(15,4)12(16)6-7-13(2,3)17/h6-7,11-12,16-18H,1,5,8-9H2,2-4H3/b7-6+/t11-,12?,14+,15+/m0/s1
InChIKeyZWKHMGLKAAWIBE-NMJRULQRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26729074)
ChEBI Ontology
Outgoing Relation(s)
E-beta-trans-5,8,11-trihydroxybergamot-9-ene (CHEBI:205839) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E)-1-[(1R,5S,6R)-1-hydroxy-6-methyl-4-methylidene-6-bicyclo[3.1.1]heptanyl]-4-methylpent-2-ene-1,4-diol
Manual XrefsDatabases
58196498ChemSpider