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CHEBI:206771 - 3-(octahydro-9-isopropyl-2H-benzo [h] chromen-4-yl)-2-methylpropyl benzoate

ChEBI IDCHEBI:206771
ChEBI Name3-(octahydro-9-isopropyl-2H-benzo [h] chromen-4-yl)-2-methylpropyl benzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O3
Net Charge0
Average Mass408.582
Monoisotopic Mass408.26645
SMILESCC(COC(=O)c1ccccc1)CC1=CCOC2C1CCC1=CCC(C(C)C)CC12
InChIInChI=1S/C27H36O3/c1-18(2)22-10-9-20-11-12-24-23(13-14-29-26(24)25(20)16-22)15-19(3)17-30-27(28)21-7-5-4-6-8-21/h4-9,13,18-19,22,24-26H,10-12,14-17H2,1-3H3
InChIKeyIWMZTXVGHIRXOG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus amyloliquefaciens (ncbitaxon:1390) - PubMed (27719931)
ChEBI Ontology
Outgoing Relation(s)
3-(octahydro-9-isopropyl-2H-benzo [h] chromen-4-yl)-2-methylpropyl benzoate (CHEBI:206771) is a organic heterotricyclic compound (CHEBI:26979)
3-(octahydro-9-isopropyl-2H-benzo [h] chromen-4-yl)-2-methylpropyl benzoate (CHEBI:206771) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[2-methyl-3-(9-propan-2-yl-4a,5,6,8,9,10,10a,10b-octahydro-2H-benzo[h]chromen-4-yl)propyl] benzoate
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61708691ChemSpider