AGRIMOL-D
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 102402554
Name
AGRIMOL-D
IUPAC name
1-(3-(3-acetyl-2,6-dihydroxy-4-methoxy-5-methylbenzyl)-5-(2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxyphenyl)-2-methylbutan-1-one
SMILES
CCC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)C(C)C)O)O)CC3=C(C(=C(C(=C3O)C)OC)C(=O)C)O)O
Molecular formula
C35H42O12
Molecular weight
654.71 g/mol
Monoisotopic mass
654.2676 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Agrimonia eupatoria L. subsp. eupatoria | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|