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CHEBI:172533 - Naematolone

ChEBI IDCHEBI:172533
ChEBI NameNaematolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C1C(=O)C(OC(C)=O)/C=C(/C)C(=O)C(O)C2C1CC2(C)C
InChIInChI=1S/C17H22O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-13,16,21H,2,7H2,1,3-5H3/b8-6-
InChIKeyBBRNVDBLOTVLMB-VURMDHGXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Naematolone (CHEBI:172533) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(5Z)-8-hydroxy-6,10,10-trimethyl-2-methylidene-3,7-dioxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
Manual XrefsDatabases
HMDB0035781HMDB
20145021ChemSpider