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CHEBI:201806 - Aspercolorin

ChEBI IDCHEBI:201806
ChEBI NameAspercolorin
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FormulaC25H28N4O5
Net Charge0
Average Mass464.522
Monoisotopic Mass464.20597
SMILESCOc1ccc2c(c1)C(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N1CCCC1C(=O)N2
InChIInChI=1S/C25H28N4O5/c1-34-17-9-10-19-18(15-17)23(31)28-20(14-16-6-3-2-4-7-16)24(32)26-12-11-22(30)29-13-5-8-21(29)25(33)27-19/h2-4,6-7,9-10,15,20-21H,5,8,11-14H2,1H3,(H,26,32)(H,27,33)(H,28,31)
InChIKeyKABHYYPZHZXPIU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aspercolorin (CHEBI:201806) is a azamacrocycle (CHEBI:52898)
Aspercolorin (CHEBI:201806) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
14-benzyl-19-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),18,20-triene-3,9,13,16-tetrone
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