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CHEBI:168409 - 5-bromo-1-isopropyl-2,5a-dimethyl-decahydro-cyclopropa[a]inden-2-ol

Default Structure
ChEBI IDCHEBI:168409
ChEBI Name5-bromo-1-isopropyl-2,5a-dimethyl-decahydro-cyclopropa[a]inden-2-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILES[H][C@]12C(=C)CC[C@H](O)[C@@]1(C)C[C@]1([H])[C@@H](C(C)C)[C@]21[H]
InChIInChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11+,12-,13-,14-,15-/m1/s1
InChIKeyWVVFQZGQVPKOMT-RBTXIFOQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5-bromo-1-isopropyl-2,5a-dimethyl-decahydro-cyclopropa[a]inden-2-ol (CHEBI:168409) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
(1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
Manual XrefsDatabases
24846693ChemSpider