CHEBI:168616 - (+)-7-epi-Syringaresinol 4'-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 (+)-7-epi-Syringaresinol 4'-glucoside
ChEBI ID CHEBI:168616
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H36O13
Net Charge 0
Average Mass 580.583
Monoisotopic Mass 580.21559
InChI InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3
InChIKey WEKCEGQSIIQPAQ-UHFFFAOYSA-N
SMILES O1C(C2C(C(OC2)C3=CC(OC)=C(O)C(OC)=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C(OC)=C4
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing (+)-7-epi-Syringaresinol 4'-glucoside (CHEBI:168616) is a glycoside (CHEBI:24400)
(+)-7-epi-Syringaresinol 4'-glucoside (CHEBI:168616) is a lignan (CHEBI:25036)
IUPAC Name
2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xrefs Databases
3684769 ChemSpider
HMDB0038261 HMDB
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