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CHEBI:197037 - 2-Hydroxynevirapine glucuronide

ChEBI IDCHEBI:197037
ChEBI Name2-Hydroxynevirapine glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N4O8
Net Charge0
Average Mass458.427
Monoisotopic Mass458.14376
SMILESCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)nc2c1NC(=O)c1cccnc1N2C1CC1
InChIInChI=1S/C21H22N4O8/c1-8-7-11(32-21-15(28)13(26)14(27)16(33-21)20(30)31)23-18-12(8)24-19(29)10-3-2-6-22-17(10)25(18)9-4-5-9/h2-3,6-7,9,13-16,21,26-28H,4-5H2,1H3,(H,24,29)(H,30,31)/t13-,14-,15+,16-,21+/m0/s1
InChIKeyRNMZKTLILDCQOC-KUSYAZKWSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxynevirapine glucuronide (CHEBI:197037) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[(2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
30778582ChemSpider
HMDB0060720HMDB