CHEBI:80552 - NPC

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name NPC
ChEBI ID CHEBI:80552
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H30N4O6
Net Charge 0
Average Mass 518.56100
Monoisotopic Mass 518.21653
InChI InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1
InChIKey APWFTHDYKJHNEV-NDEPHWFRSA-N
SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(N)CC3)cc12
ChEBI Ontology
Outgoing NPC (CHEBI:80552) is a pyranoindolizinoquinoline (CHEBI:48626)
Manual Xrefs Databases
C16543 KEGG COMPOUND
HMDB0060499 HMDB
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