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CHEBI:177592 - Salvinorin B

ChEBI IDCHEBI:177592
ChEBI NameSalvinorin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O7
Net Charge0
Average Mass390.432
Monoisotopic Mass390.16785
SMILES[H][C@]12C(=O)[C@@H](O)C[C@@H](C(=O)OC)[C@]1(C)CC[C@@]1([H])C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIInChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
InChIKeyBLTMVAIOAAGYAR-CEFSSPBYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Salvinorin B (CHEBI:177592) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(uran-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[]isochromene-7-carboxylate
Manual XrefsDatabases
9615549ChemSpider
Registry NumbersSources
CAS:92545-30-7ChemIDplus