CHEBI:172061 - (S)-Santolina acetate

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ChEBI Name (S)-Santolina acetate
ChEBI ID CHEBI:172061
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20O2
Net Charge 0
Average Mass 196.290
Monoisotopic Mass 196.14633
InChI InChI=1S/C12H20O2/c1-7-11(8-9(2)3)12(5,6)14-10(4)13/h7-8,11H,1H2,2-6H3
InChIKey NHUKUXHBUOLLAY-UHFFFAOYSA-N
SMILES O(C(C(C=C(C)C)C=C)(C)C)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing (S)-Santolina acetate (CHEBI:172061) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(3-ethenyl-2,5-dimethylhex-4-en-2-yl) acetate
Manual Xrefs Databases
10260614 ChemSpider
HMDB0041494 HMDB
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