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CHEBI:215288 - Aspereusin C

ChEBI IDCHEBI:215288
ChEBI NameAspereusin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCOc1cc(O)cc(C)c1C[C@]1(CO)C(=O)CC[C@H]1C
InChIInChI=1S/C16H22O4/c1-10-6-12(18)7-14(20-3)13(10)8-16(9-17)11(2)4-5-15(16)19/h6-7,11,17-18H,4-5,8-9H2,1-3H3/t11-,16-/m1/s1
InChIKeyIVZGJEFGWCHYLK-BDJLRTHQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29132077)
ChEBI Ontology
Outgoing Relation(s)
Aspereusin C (CHEBI:215288) is a methoxybenzenes (CHEBI:51683)
Aspereusin C (CHEBI:215288) is a phenols (CHEBI:33853)
IUPAC Name 
(2S,3R)-2-[(4-hydroxy-2-methoxy-6-methylphenyl)methyl]-2-(hydroxymethyl)-3-methylcyclopentan-1-one
Manual XrefsDatabases
78442377ChemSpider