PHYTOLACCATOXIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 317501
Name
PHYTOLACCATOXIN
IUPAC name
10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-2,4a(2H)-dicarboxylic acid
SMILES
CC1(CO)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CCC3(CCC12C)C(O)=O)C(O)=O
Molecular formula
C30H46O7
Molecular weight
518.69 g/mol
Monoisotopic mass
518.3244 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Phytolacca americana L. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|