CHEBI:6111 - Kansuinine B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Kansuinine B
ChEBI ID CHEBI:6111
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H42O14
Net Charge 0
Average Mass 722.733
Monoisotopic Mass 722.25746
InChI InChI=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
InChIKey JFOILMZFESGPDU-GXRLDEOZSA-N
SMILES C[C@H]1[C@@H]2O[C@H]2C(C)(C)C(=O)[C@H](O)[C@@H](OC(=O)c2ccccc2)C(=C)[C@H](OC(=O)c2ccccc2)[C@H]2[C@@H](OC(C)=O)[C@](C)(O)[C@H](O)[C@]2(OC(C)=O)C1=O
ChEBI Ontology
Outgoing Kansuinine B (CHEBI:6111) is a benzoate ester (CHEBI:36054)
Synonym Source
Kansuinine B KEGG COMPOUND
Manual Xrefs Databases
C00003448 KNApSAcK
C09122 KEGG COMPOUND
View more database links
Registry Number Type Source
57685-46-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014