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CHEBI:177440 - naltriben

ChEBI IDCHEBI:177440
ChEBI Namenaltriben
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H25NO4
Net Charge0
Average Mass415.489
Monoisotopic Mass415.17836
SMILES[H][C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@]([H])(C4)[C@]3(O)Cc1c2oc2ccccc12
InChIInChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
InChIKeyZHVWWEYETMPAMX-IFKAHUTRSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
naltriben (CHEBI:177440) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
(1S,2S,13R,21R)-22-(cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Manual XrefsDatabases
4589081ChemSpider
C20166KEGG COMPOUND
Registry NumbersSources
CAS:111555-58-9ChemIDplus