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CHEBI:4751 - Echitamine

ChEBI IDCHEBI:4751
ChEBI NameEchitamine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H29N2O4
Net Charge+1
Average Mass385.484
Monoisotopic Mass385.21218
SMILESC/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1C4(CO)C(=O)OC
InChIInChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20?,21-,22-,24-/m0/s1
InChIKeyAFJPGVUCVDCFPM-OBYWIAIFSA-N
ChEBI Ontology
Outgoing Relation(s)
Echitamine (CHEBI:4751) is a carbazoles (CHEBI:48513)
Synonym  Source
EchitamineKEGG COMPOUND
Manual XrefsDatabases
C09152KEGG COMPOUND
C00001715KNApSAcK
Registry NumbersSources
CAS:6871-44-9KEGG COMPOUND