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CHEBI:219403 - (1aS)-7,8balpha-Dimethyl-7beta-(hydroxymethyl)-1,4,5abeta,6,7,8,8abeta,8b-octahydrocycloprop[4,5]indeno[5,6-c]furan-2-one

ChEBI IDCHEBI:219403
ChEBI Name(1aS)-7,8balpha-Dimethyl-7beta-(hydroxymethyl)-1,4,5abeta,6,7,8,8abeta,8b-octahydrocycloprop[4,5]indeno[5,6-c]furan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC[C@@]1(CO)C[C@H]2C=C3COC(=O)[C@]34C[C@]4(C)[C@H]2C1
InChIInChI=1S/C15H20O3/c1-13(8-16)4-9-3-10-6-18-12(17)15(10)7-14(15,2)11(9)5-13/h3,9,11,16H,4-8H2,1-2H3/t9-,11+,13-,14-,15+/m1/s1
InChIKeyVVMXPACPQZZNAN-RJYVHDGYSA-N
Species of MetaboliteComponentSourceComments
Lactarius vellereus (ncbitaxon:152950) - DOI (10.1016/0031-9422(95)00775-x)
ChEBI Ontology
Outgoing Relation(s)
(1aS)-7,8balpha-Dimethyl-7beta-(hydroxymethyl)-1,4,5abeta,6,7,8,8abeta,8b-octahydrocycloprop[4,5]indeno[5,6-c]furan-2-one (CHEBI:219403) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1S,3R,4S,6R,8S)-6-(hydroxymethyl)-3,6-dimethyl-12-oxatetracyclo[8.3.0.01,3.04,8]tridec-9-en-13-one
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78438183ChemSpider