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CHEBI:214738 - Aspersclerotiorone C

ChEBI IDCHEBI:214738
ChEBI NameAspersclerotiorone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O6
Net Charge0
Average Mass282.292
Monoisotopic Mass282.11034
SMILESCOC1=CC(=O)O[C@]12O[C@]1(O)[C@H](C)[C@@H]3C[C@@]2(C)[C@@]1(C)O3
InChIInChI=1S/C14H18O6/c1-7-8-6-11(2)12(3,18-8)13(7,16)20-14(11)9(17-4)5-10(15)19-14/h5,7-8,16H,6H2,1-4H3/t7-,8+,11+,12-,13-,14+/m1/s1
InChIKeyNELMFCIXSYFKGN-NZXXFSKESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28228227)
ChEBI Ontology
Outgoing Relation(s)
Aspersclerotiorone C (CHEBI:214738) is a furofuran (CHEBI:47790)
IUPAC Name 
(1S,2R,3R,5S,6S,7R)-3-hydroxy-4'-methoxy-2,6,7-trimethylspiro[4,8-dioxatricyclo[4.2.1.03,7]nonane-5,5'-uran]-2'-one
Manual XrefsDatabases
78442145ChemSpider