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CHEBI:193938 - Chrysophanol 1-tetraglucoside

ChEBI IDCHEBI:193938
ChEBI NameChrysophanol 1-tetraglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H50O24
Net Charge0
Average Mass902.805
Monoisotopic Mass902.26920
SMILESCc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)c1cccc(O)c1C2=O
WURCSWURCS=2.0/2,4,3/[axxxxh-1x_1-5_1*O(CCCCCC$3/7)C(/5)C(CCCCCC$11/13)O(/12)C($4)/18=O/10=O][axxxxh-1x_1-5]/1-2-2-2/a6-b1_b3-c1_c6-d1
InChIInChI=1S/C39H50O24/c1-11-5-13-21(27(48)20-12(22(13)43)3-2-4-14(20)42)15(6-11)58-38-32(53)29(50)24(45)18(61-38)10-57-37-34(55)35(26(47)17(8-41)60-37)63-39-33(54)30(51)25(46)19(62-39)9-56-36-31(52)28(49)23(44)16(7-40)59-36/h2-6,16-19,23-26,28-42,44-47,49-55H,7-10H2,1H3
InChIKeyCWGIPJXDFYVNHH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
Chrysophanol 1-tetraglucoside (CHEBI:193938) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
1-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione
Manual XrefsDatabases
HMDB0034572HMDB