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CHEBI:27598 - physcion 8-gentiobioside

ChEBI IDCHEBI:27598
ChEBI Namephyscion 8-gentiobioside
Stars
Secondary ChEBI IDsCHEBI:8184, CHEBI:26107
Last Modified14 June 2016
DownloadsMolfile
FormulaC28H32O15
Net Charge0
Average Mass608.549
Monoisotopic Mass608.17412
SMILESCOc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C28H32O15/c1-9-3-11-17(13(30)4-9)22(34)18-12(19(11)31)5-10(39-2)6-14(18)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3/t15-,16-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKeyYMXXCMGLMRYEQD-BFTLVBKUSA-N
ChEBI Ontology
Outgoing Relation(s)
physcion 8-gentiobioside (CHEBI:27598) has functional parent physcion (CHEBI:38167)
physcion 8-gentiobioside (CHEBI:27598) is a disaccharide derivative (CHEBI:63353)
physcion 8-gentiobioside (CHEBI:27598) is a gentiobioside (CHEBI:24215)
physcion 8-gentiobioside (CHEBI:27598) is a monohydroxyanthraquinone (CHEBI:37483)
IUPAC Name 
8-hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms  Source
Physcion 8-gentiobiosideKEGG COMPOUND
Physcion diglucosideKEGG COMPOUND
Physcion 8-O-beta-D-gentiobiosideKEGG COMPOUND
Manual XrefsDatabases
C10382KEGG COMPOUND
LMPK13040012LIPID MAPS
C00002849KNApSAcK
Registry NumbersSources
Beilstein:5692919Beilstein
CAS:84268-38-2KEGG COMPOUND
CAS:84268-38-2ChemIDplus