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CHEBI:6111 - Kansuinine B

ChEBI IDCHEBI:6111
ChEBI NameKansuinine B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H42O14
Net Charge0
Average Mass722.740
Monoisotopic Mass722.25746
SMILES[H][C@@]12[C@@H](OC(=O)c3ccccc3)C(=C)[C@H](OC(=O)c3ccccc3)[C@@H](O)C(=O)C(C)(C)[C@]3([H])O[C@@]3([H])[C@H](C)C(=O)[C@@]1(OC(C)=O)[C@@H](O)[C@@](C)(O)[C@@H]2OC(C)=O
InChIInChI=1S/C38H42O14/c1-18-26(50-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,47)35(46)38(24,52-21(4)40)29(42)19(2)28-32(49-28)36(5,6)30(43)25(41)27(18)51-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28-,31+,32+,35-,37-,38+/m0/s1
InChIKeyJFOILMZFESGPDU-GXRLDEOZSA-N
ChEBI Ontology
Outgoing Relation(s)
Kansuinine B (CHEBI:6111) is a benzoate ester (CHEBI:36054)
Synonym  Source
Kansuinine BKEGG COMPOUND
Manual XrefsDatabases
C09122KEGG COMPOUND
C00003448KNApSAcK
Registry NumbersSources
CAS:57685-46-8KEGG COMPOUND