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CHEBI:169543 - N-Carbamoyl glucuronide lorcaserin

ChEBI IDCHEBI:169543
ChEBI NameN-Carbamoyl glucuronide lorcaserin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28ClNO5
Net Charge0
Average Mass409.910
Monoisotopic Mass409.16560
SMILESCC1CN(C(=O)OC2O[C@@H](C(=O)O)[C@H](C)[C@@H](C)[C@@H]2C)CCc2ccc(Cl)cc21
InChIInChI=1S/C21H28ClNO5/c1-11-10-23(8-7-15-5-6-16(22)9-17(11)15)21(26)28-20-14(4)12(2)13(3)18(27-20)19(24)25/h5-6,9,11-14,18,20H,7-8,10H2,1-4H3,(H,24,25)/t11?,12-,13-,14+,18-,20?/m1/s1
InChIKeyDGFKLWZCLRDMAF-IJQUCLSUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
N-Carbamoyl glucuronide lorcaserin (CHEBI:169543) is a benzazepine (CHEBI:35676)
IUPAC Name 
(2R,3R,4R,5S)-6-(7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)oxy-3,4,5-trimethyloxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0061159HMDB
35031862ChemSpider