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CHEBI:132901 - (+)-homalomenol B

ChEBI IDCHEBI:132901
ChEBI Name(+)-homalomenol B
Stars
DefinitionA sesquiterpenoid that is (+)-homalomenol A in which the double bond of the 2-methylpropen-1-yl group has migrated from the 1-2 position to the 2-3 position.
Last Modified15 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILES[H][C@@]12[C@@H](CC(=C)C)CC[C@@]1(C)[C@H](O)CC[C@]2(C)O
InChIInChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m1/s1
InChIKeyPECCCWAOADXQBC-ZSAUSMIDSA-N
Species of MetaboliteComponentSourceComments
Homalomena aromatica (ncbitaxon:1804071) root (BTO:0001188) PubMed (1368861)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(+)-homalomenol B (CHEBI:132901) has role plant metabolite (CHEBI:76924)
(+)-homalomenol B (CHEBI:132901) is a carbobicyclic compound (CHEBI:36785)
(+)-homalomenol B (CHEBI:132901) is a diol (CHEBI:23824)
(+)-homalomenol B (CHEBI:132901) is a olefinic compound (CHEBI:78840)
(+)-homalomenol B (CHEBI:132901) is a secondary alcohol (CHEBI:35681)
(+)-homalomenol B (CHEBI:132901) is a sesquiterpenoid (CHEBI:26658)
(+)-homalomenol B (CHEBI:132901) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,3aR,4R,7S,7aR)-3a,7-dimethyl-1-(2-methylprop-2-en-1-yl)octahydro-1H-indene-4,7-diol
Synonym  Source
homalomenol BChEBI
Registry NumbersSources
Reaxys:5810044Reaxys
CAS:145400-04-0ChemIDplus
Citations