ISOCOUMARIN-3-4-DIHYDRO: 6-8-DIHYDROXY-3-(6-HYDROXY-UNDECYL): (3R-6’S)

Structure

2D structure of ISOCOUMARIN-3-4-DIHYDRO: 6-8-DIHYDROXY-3-(6-HYDROXY-UNDECYL): (3R-6’S)
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 14539298

Names and identifiers

Name

ISOCOUMARIN-3-4-DIHYDRO: 6-8-DIHYDROXY-3-(6-HYDROXY-UNDECYL): (3R-6’S)

IUPAC name

6,8-dihydroxy-3-(6-hydroxyundecyl)isochroman-1-one

SMILES

O=C1OC(CC2=CC(=CC(=C12)O)O)CCCCCC(CCCCC)O

General information

Molecular formula

C20H30O5

Molecular weight

350.46 g/mol

Monoisotopic mass

350.2093 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Ononis natrix L. subsp. natrix - -
Barrero, A.F., Sanchez, J.F., Rodriguez, I. (1990). N-beta-13-docosenoylanthranilic acid and alkylresorcinols from Ononis natrix subsp. hispanica. Phytochemistry, 29(6), 1967-1969 doi:10.1016/0031-9422(90)85049-l