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CHEBI:220038 - Alterbrasone

ChEBI IDCHEBI:220038
ChEBI NameAlterbrasone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESC/C=C/C(=O)C1=C(/C=C/C)C(=O)[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C14H18O3/c1-5-7-10-12(11(15)8-6-2)14(4,17)9(3)13(10)16/h5-9,17H,1-4H3/b7-5+,8-6+/t9-,14-/m1/s1
InChIKeyDWFPYAPCVLPCFN-IGRPCBJSSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (27050742)
ChEBI Ontology
Outgoing Relation(s)
Alterbrasone (CHEBI:220038) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(4R,5S)-3-[(E)-but-2-enoyl]-4-hydroxy-4,5-dimethyl-2-[(E)-prop-1-enyl]cyclopent-2-en-1-one
Manual XrefsDatabases
58197202ChemSpider