EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176333 - Dihydroisomorphine-3-glucuronide

ChEBI IDCHEBI:176333
ChEBI NameDihydroisomorphine-3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO9
Net Charge0
Average Mass463.483
Monoisotopic Mass463.18423
SMILESCN1CCC23c4c5ccc(OC6OC(C(=O)O)C(O)C(O)C6O)c4OC2[C@H](O)CCC3C1C5
InChIInChI=1S/C23H29NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-12,15-17,19-20,22,25-28H,3-4,6-8H2,1H3,(H,29,30)/t10?,11?,12-,15?,16?,17?,19?,20?,22?,23?/m1/s1
InChIKeyKCPRJVDBLLJBMF-LGPQXENESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
Dihydroisomorphine-3-glucuronide (CHEBI:176333) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
3,4,5-trihydroxy-6-[[(7R)-7-hydroxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzouro[3,2-e]isoquinolin-9-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060820HMDB