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CHEBI:218171 - (6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-one

ChEBI IDCHEBI:218171
ChEBI Name(6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O4
Net Charge0
Average Mass200.234
Monoisotopic Mass200.10486
SMILESCC1C(=O)O[C@H]2C1CC[C@](C)(O)[C@@H]2O
InChIInChI=1S/C10H16O4/c1-5-6-3-4-10(2,13)8(11)7(6)14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5?,6?,7-,8+,10-/m0/s1
InChIKeyHEPIMNSIVYQQNN-OTCQGAEESA-N
Species of MetaboliteComponentSourceComments
Pleurotus cornucopiae (ncbitaxon:5321) - PubMed (23650961)
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-one (CHEBI:218171) is a benzofurans (CHEBI:35259)
IUPAC Name 
(6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-one
Manual XrefsDatabases
78438677ChemSpider