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CHEBI:168552 - Hydromorphone-3-glucoside

ChEBI IDCHEBI:168552
ChEBI NameHydromorphone-3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO8
Net Charge0
Average Mass447.484
Monoisotopic Mass447.18932
SMILES[H][C@@]12CCC(=O)[C@]3([H])Oc4c(OC5OC(CO)C(O)C(O)C5O)ccc5c4[C@]13CCN(C)[C@]2([H])C5
InChIInChI=1S/C23H29NO8/c1-24-7-6-23-11-3-4-13(26)21(23)32-20-14(5-2-10(16(20)23)8-12(11)24)30-22-19(29)18(28)17(27)15(9-25)31-22/h2,5,11-12,15,17-19,21-22,25,27-29H,3-4,6-9H2,1H3/t11-,12+,15?,17?,18?,19?,21-,22?,23-/m0/s1
InChIKeyLAZTZBKWNKFJLP-FBSPHTLJSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
Hydromorphone-3-glucoside (CHEBI:168552) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
(4R,4aR,7aR,12bS)-3-methyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinolin-7-one
Manual XrefsDatabases
HMDB0061144HMDB