CHEBI:171722 - 8-Hydroxypinoresinol 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 8-Hydroxypinoresinol 4-glucoside
ChEBI ID CHEBI:171722
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O12
Net Charge 0
Average Mass 536.530
Monoisotopic Mass 536.18938
InChI InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3
InChIKey ORRYWOBRSQRASU-UHFFFAOYSA-N
SMILES O1C(C2(O)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Hydroxypinoresinol 4-glucoside (CHEBI:171722) is a glycoside (CHEBI:24400)
8-Hydroxypinoresinol 4-glucoside (CHEBI:171722) is a lignan (CHEBI:25036)
IUPAC Name
2-[4-[3a-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
HMDB0033282 HMDB
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