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CHEBI:91601 - (2S,3R)-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

ChEBI IDCHEBI:91601
ChEBI Name(2S,3R)-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
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DownloadsMolfile
FormulaC29H40N2O4
Net Charge0
Average Mass480.649
Monoisotopic Mass480.29881
SMILESCC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC1NCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24?,25?/m0/s1
InChIKeyAUVVAXYIELKVAI-VXNUJMKFSA-N
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)
(2S,3R)-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (CHEBI:91601) is a alkaloid (CHEBI:22315)
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