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CHEBI:210554 - Penicipene B

ChEBI IDCHEBI:210554
ChEBI NamePenicipene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O4
Net Charge0
Average Mass228.288
Monoisotopic Mass228.13616
SMILESCC(=O)O[C@@](C)(CCC=C(C)C)CC(=O)O
InChIInChI=1S/C12H20O4/c1-9(2)6-5-7-12(4,8-11(14)15)16-10(3)13/h6H,5,7-8H2,1-4H3,(H,14,15)/t12-/m0/s1
InChIKeyXDQAADVUQAXNNI-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30605783)
ChEBI Ontology
Outgoing Relation(s)
Penicipene B (CHEBI:210554) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(3S)-3-acetyloxy-3,7-dimethyloct-6-enoic acid
Manual XrefsDatabases
71117703ChemSpider