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CHEBI:80819 - Disinomenine

ChEBI IDCHEBI:80819
ChEBI NameDisinomenine
Stars
DownloadsMolfile
FormulaC38H44N2O8
Net Charge0
Average Mass656.776
Monoisotopic Mass656.30977
SMILES[H][C@]12C=C(OC)C(=O)C[C@]13CCN(C)[C@H]2Cc1c(-c2cc(OC)c(O)c4c2C[C@@H]2N(C)CC[C@]45CC(=O)C(OC)=C[C@]25[H])cc(OC)c(O)c13
InChIInChI=1S/C38H44N2O8/c1-39-9-7-37-17-27(41)29(45-3)15-23(37)25(39)11-21-19(13-31(47-5)35(43)33(21)37)20-14-32(48-6)36(44)34-22(20)12-26-24-16-30(46-4)28(42)18-38(24,34)8-10-40(26)2/h13-16,23-26,43-44H,7-12,17-18H2,1-6H3/t23-,24-,25+,26+,37-,38-/m1/s1
InChIKeyAXVVWZONCVUAPP-QULPKBGFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Disinomenine (CHEBI:80819) is a morphinane alkaloid (CHEBI:25418)
Synonym  Source
BisinomenineKEGG COMPOUND
Manual XrefsDatabases
C16954KEGG COMPOUND