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CHEBI:192 - (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin

ChEBI IDCHEBI:192
ChEBI Name(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)C1(C)OC1C
InChIInChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-18-17(25-11(2)22)15-13(29-20(18,3)4)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3/t10?,17-,18-,21?/m1/s1
InChIKeyJATBXVRRSYYPIL-SKGLXBPESA-N
ChEBI Ontology
Outgoing Relation(s)
(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin (CHEBI:192) is a coumarins (CHEBI:23403)
Synonym  Source
(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselinKEGG COMPOUND
Manual XrefsDatabases
C09262KEGG COMPOUND
C00002470KNApSAcK
Registry NumbersSources
CAS:11350-35-9KEGG COMPOUND