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CHEBI:9106 - Senampeline A

Default Structure
ChEBI IDCHEBI:9106
ChEBI NameSenampeline A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H31NO8
Net Charge0
Average Mass473.522
Monoisotopic Mass473.20497
SMILESC/C=C(\C)C(=O)O[C@@H]1C[C@H](OC(C)=O)n2ccc(COC(=O)/C(=C/C)COC(=O)C=C(C)C)c21
InChIInChI=1S/C25H31NO8/c1-7-16(5)24(29)34-20-12-21(33-17(6)27)26-10-9-19(23(20)26)14-32-25(30)18(8-2)13-31-22(28)11-15(3)4/h7-11,20-21H,12-14H2,1-6H3/b16-7+,18-8+/t20-,21+/m1/s1
InChIKeyDZBWFFPQOFEYIE-LSKSLASESA-N
ChEBI Ontology
Outgoing Relation(s)
Senampeline A (CHEBI:9106) is a carbonyl compound (CHEBI:36586)
Synonym  Source
Senampeline AKEGG COMPOUND
Manual XrefsDatabases
C00002115KNApSAcK
C10388KEGG COMPOUND
Registry NumbersSources
CAS:62787-00-2KEGG COMPOUND