EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80739 - Glucofrangulin A

ChEBI IDCHEBI:80739
ChEBI NameGlucofrangulin A
Stars
Last Modified14 June 2016
DownloadsMolfile
FormulaC27H30O14
Net Charge0
Average Mass578.523
Monoisotopic Mass578.16356
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[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
InChIInChI=1S/C27H30O14/c1-8-3-11-16(13(29)4-8)21(33)17-12(19(11)31)5-10(39-26-24(36)22(34)18(30)9(2)38-26)6-14(17)40-27-25(37)23(35)20(32)15(7-28)41-27/h3-6,9,15,18,20,22-30,32,34-37H,7H2,1-2H3/t9-,15+,18-,20+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKeyGPSQZOFVCVOOIE-QWVHOXPHSA-N
ChEBI Ontology
Outgoing Relation(s)
Glucofrangulin A (CHEBI:80739) is a monohydroxyanthraquinone (CHEBI:37483)
Manual XrefsDatabases
C16802KEGG COMPOUND
Registry NumbersSources
CAS:21133-53-9KEGG COMPOUND