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CHEBI:4656 - Disenecionyl cis-khellactone

ChEBI IDCHEBI:4656
ChEBI NameDisenecionyl cis-khellactone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H26O7
Net Charge0
Average Mass426.465
Monoisotopic Mass426.16785
SMILESCC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)C=C(C)C
InChIInChI=1S/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3/t22-,23-/m1/s1
InChIKeyUHWIZIJICYWABA-DHIUTWEWSA-N
ChEBI Ontology
Outgoing Relation(s)
Disenecionyl cis-khellactone (CHEBI:4656) is a coumarins (CHEBI:23403)
Synonym  Source
Disenecionyl cis-khellactoneKEGG COMPOUND
Manual XrefsDatabases
C09261KEGG COMPOUND
C00002469KNApSAcK
Registry NumbersSources
CAS:54676-88-9KEGG COMPOUND