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CHEBI:205323 - Acremine I

ChEBI IDCHEBI:205323
ChEBI NameAcremine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCC(C)(O)[C@H]1O[C@@H]1C1=CC(=O)[C@]2(C)O[C@@H]2[C@@H]1O
InChIInChI=1S/C12H16O5/c1-11(2,15)10-8(16-10)5-4-6(13)12(3)9(17-12)7(5)14/h4,7-10,14-15H,1-3H3/t7-,8-,9-,10+,12+/m1/s1
InChIKeyOUGZTEBDFKLHPZ-OMHSBUABSA-N
Species of MetaboliteComponentSourceComments
Simplicillium lanosoniveum (ncbitaxon:132112) - DOI (10.1016/j.tet.2008.11.058)
ChEBI Ontology
Outgoing Relation(s)
Acremine I (CHEBI:205323) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5R,6R)-5-hydroxy-4-[(2R,3S)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-1-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual XrefsDatabases
27445048ChemSpider