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CHEBI:9023 - santamarin

ChEBI IDCHEBI:9023
ChEBI Namesantamarin
Stars
DefinitionA sesquiterpene lactone of the eudesmanolide group.
Secondary ChEBI IDCHEBI:244416
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@]12C(C)=CC[C@@H](O)[C@]1(C)CC[C@H]1C(=C)C(=O)O[C@@H]12
InChIInChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1
InChIKeyPLSSEPIRACGCBO-PFFFPCNUSA-N
ChEBI Ontology
Outgoing Relation(s)
santamarin (CHEBI:9023) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
Synonyms  Source
SantamarinKEGG COMPOUND
santamarinChEMBL
(3aS,5aR,6R,9aS,9bS)-6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydro-3H-naphtho[1,2-b]furan-2-oneChEMBL
BalchaninChemIDplus
santamarineChEBI
(+)-santamarineChEBI
Manual XrefsDatabases
C09544KEGG COMPOUND
C00003363KNApSAcK
Registry NumbersSources
Beilstein:1287299Beilstein
CAS:4290-13-5KEGG COMPOUND
CAS:4290-13-5ChemIDplus
Citations