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CHEBI:5167 - Frangulin A

ChEBI IDCHEBI:5167
ChEBI NameFrangulin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc(O)c1C2=O
InChIInChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1
InChIKeyDTTVUKLWJFJOHO-FUCRAMRQSA-N
ChEBI Ontology
Outgoing Relation(s)
Frangulin A (CHEBI:5167) is a anthraquinone (CHEBI:22580)
Synonym  Source
Frangulin AKEGG COMPOUND
Manual XrefsDatabases
C10346KEGG COMPOUND
C00002824KNApSAcK
Registry NumbersSources
CAS:521-62-0KEGG COMPOUND