CHEBI:81529 - Norbinaltorphimine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Norbinaltorphimine
ChEBI ID CHEBI:81529
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C40H43N3O6
Net Charge 0
Average Mass 661.78590
Monoisotopic Mass 661.31519
InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
InChIKey APSUXPSYBJVPPS-YAUKWVCOSA-N
SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
ChEBI Ontology
Outgoing Norbinaltorphimine (CHEBI:81529) is a isoquinolines (CHEBI:24922)
Synonym Source
norBNI KEGG COMPOUND
Manual Xref Database
C18130 KEGG COMPOUND
View more database links
Registry Number Type Source
105618-26-6 CAS Registry Number KEGG COMPOUND