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CHEBI:172061 - (S)-Santolina acetate

ChEBI IDCHEBI:172061
ChEBI Name(S)-Santolina acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESC=CC(C=C(C)C)C(C)(C)OC(C)=O
InChIInChI=1S/C12H20O2/c1-7-11(8-9(2)3)12(5,6)14-10(4)13/h7-8,11H,1H2,2-6H3
InChIKeyNHUKUXHBUOLLAY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
(S)-Santolina acetate (CHEBI:172061) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
(3-ethenyl-2,5-dimethylhex-4-en-2-yl) acetate
Manual XrefsDatabases
10260614ChemSpider
HMDB0041494HMDB