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CHEBI:80793 - Arctiin

ChEBI IDCHEBI:80793
ChEBI NameArctiin
Stars
DownloadsMolfile
FormulaC27H34O11
Net Charge0
Average Mass534.558
Monoisotopic Mass534.21011
SMILESCOc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
InChIInChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
InChIKeyXOJVHLIYNSOZOO-SWOBOCGESA-N
ChEBI Ontology
Outgoing Relation(s)
Arctiin (CHEBI:80793) is a glycoside (CHEBI:24400)
Arctiin (CHEBI:80793) is a lignan (CHEBI:25036)
UniProt Name  Source
arctiinUniProt
Manual XrefsDatabases
C16915KEGG COMPOUND
Registry NumbersSources
CAS:20362-31-6KEGG COMPOUND