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CHEBI:231982 - 28-Norcyclomusalenone

ChEBI IDCHEBI:231982
ChEBI Name28-Norcyclomusalenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O
Net Charge0
Average Mass410.686
Monoisotopic Mass410.35487
SMILESC=C(C)C(C)CCC(C)C1CCC2(C)C3CCC4CC(=O)CCC45CC35CCC12C
InChIInChI=1S/C29H46O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-22,24-25H,1,7-18H2,2-6H3
InChIKeyUWHKELQKZGZXIE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) esophageal mucosa (BTO:0002859) MetaboLights (MTBLS4816)
ChEBI Ontology
Outgoing Relation(s)
28-Norcyclomusalenone (CHEBI:231982) is a ergostanoid (CHEBI:50403)
IUPAC Name 
15-(5,6-dimethylhept-6-en-2-yl)-12,16-dimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Manual XrefsDatabases
HMDB0032882HMDB