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CHEBI:191167 - Spinosine

ChEBI IDCHEBI:191167
ChEBI NameSpinosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILES[H][C@@]12Cc3cc(O)c(O)cc3CN1CCc1cc(OC)c(OC)cc12
InChIInChI=1S/C19H21NO4/c1-23-18-8-11-3-4-20-10-13-7-17(22)16(21)6-12(13)5-15(20)14(11)9-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1
InChIKeyVAKIESMDOCVMDV-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Spinosine (CHEBI:191167) is a alkaloid (CHEBI:22315)
IUPAC Name 
(13aS)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol
Manual XrefsDatabases
154380ChemSpider
Registry NumbersSources
CAS:175274-51-8ChemIDplus