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CHEBI:4352 - Decuroside III

ChEBI IDCHEBI:4352
ChEBI NameDecuroside III
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H34O14
Net Charge0
Average Mass570.544
Monoisotopic Mass570.19486
SMILES[H][C@]1(C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C26H34O14/c1-26(2,16-6-11-5-10-3-4-17(29)36-12(10)7-13(11)35-16)40-25-22(34)20(32)23(15(9-28)38-25)39-24-21(33)19(31)18(30)14(8-27)37-24/h3-5,7,14-16,18-25,27-28,30-34H,6,8-9H2,1-2H3/t14-,15-,16-,18-,19+,20-,21-,22-,23-,24-,25+/m1/s1
InChIKeyFBXYOMVTZDVTHK-LDVHROGYSA-N
ChEBI Ontology
Outgoing Relation(s)
Decuroside III (CHEBI:4352) is a furanocoumarin (CHEBI:24128)
Synonym  Source
Decuroside IIIKEGG COMPOUND
Manual XrefsDatabases
C09257KEGG COMPOUND
C00002464KNApSAcK
Registry NumbersSources
CAS:96638-81-2KEGG COMPOUND