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CHEBI:202008 - (5R,5aS,9aS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate

ChEBI IDCHEBI:202008
ChEBI Name(5R,5aS,9aS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCCCCCC(=O)O[C@@H]1C=C2COC(=O)C2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C21H32O5/c1-5-6-7-9-16(22)26-15-12-14-13-25-18(23)21(14,24)20(4)11-8-10-19(2,3)17(15)20/h12,15,17,24H,5-11,13H2,1-4H3/t15-,17+,20+,21?/m1/s1
InChIKeyROECGAWNHRGIRN-RILOYPOQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24792812)
ChEBI Ontology
Outgoing Relation(s)
(5R,5aS,9aS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate (CHEBI:202008) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9aS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] hexanoate
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34252060ChemSpider