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CHEBI:182775 - (12As)-2-(3,4-dimethoxyphenethyl)-6-(4-methoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione

ChEBI IDCHEBI:182775
ChEBI Name(12As)-2-(3,4-dimethoxyphenethyl)-6-(4-methoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H31N3O5
Net Charge0
Average Mass525.605
Monoisotopic Mass525.22637
SMILES[H][C@]12Cc3c(nc4ccccc34)C(c3ccc(OC)cc3)N1C(=O)CN(CCc1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C31H31N3O5/c1-37-21-11-9-20(10-12-21)30-29-23(22-6-4-5-7-24(22)32-29)17-25-31(36)33(18-28(35)34(25)30)15-14-19-8-13-26(38-2)27(16-19)39-3/h4-13,16,25,30,32H,14-15,17-18H2,1-3H3/t25-,30?/m1/s1
InChIKeySVKSSWZXLVXEJI-GOWJNXQMSA-N
ChEBI Ontology
Outgoing Relation(s)
(12As)-2-(3,4-dimethoxyphenethyl)-6-(4-methoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CHEBI:182775) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(8R)-6-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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