CHEBI:186344 - 8-Acetoxy-4'-methoxypinoresinol

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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-Acetoxy-4'-methoxypinoresinol
ChEBI ID CHEBI:186344
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O8
Net Charge 0
Average Mass 430.453
Monoisotopic Mass 430.16277
InChI InChI=1S/C23H26O8/c1-13(24)31-23-12-30-21(14-6-8-18(26-2)20(9-14)28-4)16(23)11-29-22(23)15-5-7-17(25)19(10-15)27-3/h5-10,16,21-22,25H,11-12H2,1-4H3
InChIKey ZVILPMKYRJCFAE-UHFFFAOYSA-N
SMILES O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(OC)C=C3)C1)C4=CC(OC)=C(O)C=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Acetoxy-4'-methoxypinoresinol (CHEBI:186344) is a lignan (CHEBI:25036)
IUPAC Name
[6-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl] acetate
Manual Xrefs Databases
35013575 ChemSpider
HMDB0033277 HMDB
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