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CHEBI:210720 - 12beta-hydroxy-13alpha-ethoxyverruculogen TR-2

ChEBI IDCHEBI:210720
ChEBI Name12beta-hydroxy-13alpha-ethoxyverruculogen TR-2
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FormulaC24H31N3O6
Net Charge0
Average Mass457.527
Monoisotopic Mass457.22129
SMILESCCO[C@H]1c2c(nc3cc(OC)ccc23)[C@H](CC(C)(C)O)N2C(=O)[C@@H]3CCCN3C(=O)[C@@]12O
InChIInChI=1S/C24H31N3O6/c1-5-33-20-18-14-9-8-13(32-4)11-15(14)25-19(18)17(12-23(2,3)30)27-21(28)16-7-6-10-26(16)22(29)24(20,27)31/h8-9,11,16-17,20,25,30-31H,5-7,10,12H2,1-4H3/t16-,17-,20-,24-/m0/s1
InChIKeySGHOPSJVYXHVEZ-MEICDQCUSA-N
ChEBI Ontology
Outgoing Relation(s)
12beta-hydroxy-13alpha-ethoxyverruculogen TR-2 (CHEBI:210720) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1S,2S,12S,15S)-2-ethoxy-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
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78439157ChemSpider