CHEBI:192041 - Chrysophanol 8-gentiobioside

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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 8-gentiobioside
ChEBI ID CHEBI:192041
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O14
Net Charge 0
Average Mass 578.523
Monoisotopic Mass 578.16356
InChI InChI=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
InChIKey DFCJAHQKYCYICW-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C3=C(C(=O)C4=C(C3=O)C(O)=CC(=C4)C)C=CC2)COC5OC(C(O)C(O)C5O)CO
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0039488 HMDB
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