CHEBI:191589 - (+)-Lyoniresinol 9-glucoside

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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 (+)-Lyoniresinol 9-glucoside
ChEBI ID CHEBI:191589
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H38O13
Net Charge 0
Average Mass 582.599
Monoisotopic Mass 582.23124
InChI InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(9-29)14(5-12-6-18(38-3)24(33)27(39-4)21(12)20)11-40-28-26(35)25(34)23(32)19(10-30)41-28/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3
InChIKey PACBNJFGEWTGCE-UHFFFAOYSA-N
SMILES O(CC1C(C(C=2C(C1)=CC(OC)=C(O)C2OC)C3=CC(OC)=C(O)C(OC)=C3)CO)C4OC(C(O)C(O)C4O)CO
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing (+)-Lyoniresinol 9-glucoside (CHEBI:191589) is a glycoside (CHEBI:24400)
(+)-Lyoniresinol 9-glucoside (CHEBI:191589) is a lignan (CHEBI:25036)
IUPAC Name
2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
HMDB0041148 HMDB
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