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CHEBI:191679 - Chrysophanol 1-triglucoside

ChEBI IDCHEBI:191679
ChEBI NameChrysophanol 1-triglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O19
Net Charge0
Average Mass740.664
Monoisotopic Mass740.21638
SMILESCc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)c1cccc(O)c1C2=O
WURCSWURCS=2.0/2,3,2/[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/a6-b1_b3-c1
InChIInChI=1S/C33H40O19/c1-10-5-12-19(24(41)18-11(20(12)37)3-2-4-13(18)36)14(6-10)48-32-27(44)26(43)22(39)17(51-32)9-47-31-29(46)30(23(40)16(8-35)49-31)52-33-28(45)25(42)21(38)15(7-34)50-33/h2-6,15-17,21-23,25-36,38-40,42-46H,7-9H2,1H3
InChIKeySOWISUOFXLRAML-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Chrysophanol 1-triglucoside (CHEBI:191679) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
1-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione
Manual XrefsDatabases
HMDB0034571HMDB