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CHEBI:113551 - 2-methyl-2-butenoic acid [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester

ChEBI IDCHEBI:113551
ChEBI Name2-methyl-2-butenoic acid [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester
Stars
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESCC=C(C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
InChIInChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/t18-,19-/m1/s1
InChIKeyLYUZYPKZQDYMEE-RTBURBONSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methyl-2-butenoic acid [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester (CHEBI:113551) is a coumarins (CHEBI:23403)
Manual XrefsDatabases
LSM-24976LINCS