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CHEBI:5168 - Frangulin B

ChEBI IDCHEBI:5168
ChEBI NameFrangulin B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H18O9
Net Charge0
Average Mass402.355
Monoisotopic Mass402.09508
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c1C2=O
InChIInChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1
InChIKeyAEQMIFRODRFTJF-SLFFLAALSA-N
ChEBI Ontology
Outgoing Relation(s)
Frangulin B (CHEBI:5168) is a anthraquinone (CHEBI:22580)
Synonym  Source
Frangulin BKEGG COMPOUND
Manual XrefsDatabases
C10349KEGG COMPOUND
C00002825KNApSAcK
Registry NumbersSources
CAS:14101-04-3KEGG COMPOUND