13-HYDROXYBALLONIGRINOLIDE

Structure

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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 156161

2aS,2a1R,5aS,8aS)-6-(2-(3-hydroxy-5-oxotetrahydrofuran-3-yl)ethyl)-2a,5a,7-trimethyl-2a1,3,4,5,5a,8a-hexahydro-2H-naphtho[1,8-bc]furan-2,8(2aH)-dione

C1[C@]3([C@@H]2[C@](CC1)(C(O[C@@H]2C(C(=C3CCC4(CC(=O)OC4)O)C)=O)=O)C)C

C₂₀H₂₆O₆

362.42 g/mol

362.1729 Da

Pathway:

Superclass:

Class:

Glycoside:

Chemical classification: NPClassifier (Kim et al., 2021)

Plant	Plant part	Amount	Reference
Ballota nigra L. subsp. meridionalis (Bég.) Bég.	aerial parts	-	Seidel, V., Verholle, M., Malard, Y., Tillequin, F., Fruchart, J-C., Duriez, P., Bailleul, F., Teissier, E. 2000. Phenylpropanoids from Ballota nigra L. Inhibit in vitro LDL Peroxidation. Phytotherapy Research, 14(2): 93-98.

Plant	Plant part	Amount	Reference
Ballota nigra L. subsp. meridionalis (Bég.) Bég.	aerial parts	-	Seidel, V., Verholle, M., Malard, Y., Tillequin, F., Fruchart, J-C., Duriez, P., Bailleul, F., Teissier, E. 2000. Phenylpropanoids from Ballota nigra L. Inhibit in vitro LDL Peroxidation. Phytotherapy Research, 14(2): 93-98.