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CHEBI:6098 - Kadsurin A

ChEBI IDCHEBI:6098
ChEBI NameKadsurin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESC=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)O[C@]2(OC)CC1=O
InChIInChI=1S/C21H24O6/c1-5-6-15-10-20(23-3)13(2)19(27-21(20,24-4)11-16(15)22)14-7-8-17-18(9-14)26-12-25-17/h5,7-10,13,19H,1,6,11-12H2,2-4H3/t13-,19+,20+,21-/m1/s1
InChIKeyYVRYZXAHRGGELT-MZNUGIIHSA-N
ChEBI Ontology
Outgoing Relation(s)
Kadsurin A (CHEBI:6098) is a benzodioxoles (CHEBI:38298)
Synonym  Source
Kadsurin AKEGG COMPOUND
Manual XrefsDatabases
C00002610KNApSAcK
C10640KEGG COMPOUND
Registry NumbersSources
CAS:99340-07-5KEGG COMPOUND