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CHEBI:4719 - Drummondin A

ChEBI IDCHEBI:4719
ChEBI NameDrummondin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H34O8
Net Charge0
Average Mass498.572
Monoisotopic Mass498.22537
SMILESCCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O
InChIInChI=1S/C28H34O8/c1-7-9-17(29)19-22(32)15(21(31)14-11-12-27(3,4)36-24(14)19)13-16-23(33)20(18(30)10-8-2)26(35)28(5,6)25(16)34/h11-12,31-32,34-35H,7-10,13H2,1-6H3
InChIKeyGRJLTYRIUXPFPO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Drummondin A (CHEBI:4719) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
Drummondin AKEGG COMPOUND
Manual XrefsDatabases
C09004KEGG COMPOUND
C00002425KNApSAcK
Registry NumbersSources
CAS:119171-76-5KEGG COMPOUND