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CHEBI:171902 - Annocherin A

ChEBI IDCHEBI:171902
ChEBI NameAnnocherin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O5
Net Charge0
Average Mass406.563
Monoisotopic Mass406.27192
SMILESCC(=O)OCC1(C)CCCC2(C)C1CCC13CC(CCC12)C(O)(COC(C)=O)C3
InChIInChI=1S/C24H38O5/c1-16(25)28-14-21(3)9-5-10-22(4)19(21)8-11-23-12-18(6-7-20(22)23)24(27,13-23)15-29-17(2)26/h18-20,27H,5-15H2,1-4H3
InChIKeyOQDCKOUFTOKDOD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Annocherin A (CHEBI:171902) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
[14-(acetyloxymethyl)-14-hydroxy-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Manual XrefsDatabases
HMDB0033399HMDB
35013601ChemSpider