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CHEBI:81527 - beta-Funaltrexamine

ChEBI IDCHEBI:81527
ChEBI Namebeta-Funaltrexamine
Stars
DownloadsMolfile
FormulaC25H30N2O6
Net Charge0
Average Mass454.523
Monoisotopic Mass454.21039
SMILESCOC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIInChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
InChIKeyPQKHESYTSKMWFP-WZJCLRDWSA-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)
beta-Funaltrexamine (CHEBI:81527) is a morphinane alkaloid (CHEBI:25418)
Synonym  Source
beta-FNAKEGG COMPOUND
Manual XrefsDatabases
C18127KEGG COMPOUND
Registry NumbersSources
CAS:72782-05-9KEGG COMPOUND