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CHEBI:192041 - Chrysophanol 8-gentiobioside

ChEBI IDCHEBI:192041
ChEBI NameChrysophanol 8-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O14
Net Charge0
Average Mass578.523
Monoisotopic Mass578.16356
SMILESCc1cc(O)c2c(c1)C(=O)c1cccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c1C2=O
InChIInChI=1S/C27H30O14/c1-9-5-11-16(12(29)6-9)21(33)17-10(18(11)30)3-2-4-13(17)39-27-25(37)23(35)20(32)15(41-27)8-38-26-24(36)22(34)19(31)14(7-28)40-26/h2-6,14-15,19-20,22-29,31-32,34-37H,7-8H2,1H3
InChIKeyDFCJAHQKYCYICW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Chrysophanol 8-gentiobioside (CHEBI:192041) is a anthraquinone (CHEBI:22580)
IUPAC Name 
1-hydroxy-3-methyl-8-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
Manual XrefsDatabases
HMDB0039488HMDB