CHEBI:176333 - Dihydroisomorphine-3-glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dihydroisomorphine-3-glucuronide
ChEBI ID CHEBI:176333
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H29NO9
Net Charge 0
Average Mass 463.483
Monoisotopic Mass 463.18423
InChI InChI=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
InChIKey KCPRJVDBLLJBMF-LGPQXENESA-N
SMILES O1C2C34C(C(N(CC3)C)CC5=C4C1=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=C5)CC[C@H]2O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0060820 HMDB
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