CHEBI:193938 - Chrysophanol 1-tetraglucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chrysophanol 1-tetraglucoside
ChEBI ID CHEBI:193938
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H50O24
Net Charge 0
Average Mass 902.805
Monoisotopic Mass 902.26920
InChI InChI=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
InChIKey CWGIPJXDFYVNHH-UHFFFAOYSA-N
SMILES O(C1C(O)C(OC(OCC2OC(OC=3C4=C(C=C(C3)C)C(=O)C5=C(C4=O)C(O)=CC=C5)C(O)C(O)C2O)C1O)CO)C6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)CO
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0034572 HMDB
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