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CHEBI:83815 - (10S,11S)-dihydroxy-10,11-dihydrocarbamazepine

ChEBI IDCHEBI:83815
ChEBI Name(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine
Stars
ASCII Name(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine
DefinitionThe (10S,11S)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.
Last Modified20 November 2014
Submitternamrata
DownloadsMolfile
FormulaC15H14N2O3
Net Charge0
Average Mass270.288
Monoisotopic Mass270.10044
SMILESNC(=O)N1c2ccccc2[C@H](O)[C@@H](O)c2ccccc21
InChIInChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1
InChIKeyPRGQOPPDPVELEG-KBPBESRZSA-N
Roles Classification
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83815) is a 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83532)
(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83815) is enantiomer of (10R,11R)-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83816)
Incoming Relation(s)
rac-10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83817) has part (10S,11S)-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83815)
(10R,11R)-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83816) is enantiomer of (10S,11S)-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83815)
IUPAC Name 
(10S,11S)-10,11-dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Synonym  Source
(−)-(S,S)-trans-10,11-dihydro-10,11-dihydroxy-5H-dibenzo[b,f]azepine-5-carboxamideChEBI
Registry NumbersSources
Reaxys:6278699Reaxys