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CHEBI:200532 - Asperolide C

ChEBI IDCHEBI:200532
ChEBI NameAsperolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESC[C@]12CCC[C@](C)(C(=O)O)[C@@H]1CC[C@]1(CO)OC(=O)C[C@@H]12
InChIInChI=1S/C16H24O5/c1-14-5-3-6-15(2,13(19)20)10(14)4-7-16(9-17)11(14)8-12(18)21-16/h10-11,17H,3-9H2,1-2H3,(H,19,20)/t10-,11-,14+,15+,16-/m1/s1
InChIKeyQQXUVFDWBIAEDS-AKUOKLNBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22283451)
ChEBI Ontology
Outgoing Relation(s)
Asperolide C (CHEBI:200532) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3aS,5aR,6S,9aS,9bR)-3a-(hydroxymethyl)-6,9a-dimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzouran-6-carboxylic acid
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29214725ChemSpider