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CHEBI:209097 - Penicilleremophilane B

ChEBI IDCHEBI:209097
ChEBI NamePenicilleremophilane B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C(C)[C@@]12C[C@@]3(CO1)C(=CC2=O)CC[C@@H](O)[C@@H]3C
InChIInChI=1S/C15H20O3/c1-9(2)15-7-14(8-18-15)10(3)12(16)5-4-11(14)6-13(15)17/h6,10,12,16H,1,4-5,7-8H2,2-3H3/t10-,12+,14-,15+/m0/s1
InChIKeyMWUGOQTWDLZTTB-MMMKDXCPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25734623)
ChEBI Ontology
Outgoing Relation(s)
Penicilleremophilane B (CHEBI:209097) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,2R,3R,9R)-3-hydroxy-2-methyl-9-prop-1-en-2-yl-10-oxatricyclo[7.2.1.01,6]dodec-6-en-8-one
Manual XrefsDatabases
78437383ChemSpider