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CHEBI:229200 - Catharanthine hemitartrate

ChEBI IDCHEBI:229200
ChEBI NameCatharanthine hemitartrate
Stars
SubmitterMetaboLights
DownloadsMolfile
Formula2C21H24N2O2.C4H6O6
Net Charge0
Average Mass822.956
Monoisotopic Mass822.38399
SMILESO=C(O)[C@H](O)[C@@H](O)C(=O)O.[H][C@]12C=C(CC)[C@@]3([H])N(CCc4c(nc5ccccc45)[C@@]3(C(=O)OC)C1)C2.[H][C@]12C=C(CC)[C@@]3([H])N(CCc4c(nc5ccccc45)[C@@]3(C(=O)OC)C1)C2
InChIInChI=1S/2C21H24N2O2.C4H6O6/c2*1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18;5-1(3(7)8)2(6)4(9)10/h2*4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*13-,19+,21-;1-,2-/m001/s1
InChIKeyOXIDCVCPXUNSCI-DWGLLIDUSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
Catharanthine hemitartrate (CHEBI:229200) is a alkaloid (CHEBI:22315)
IUPAC Name 
(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
Manual XrefsDatabases
35293922ChemSpider