LOBETYOLIN

Structure

2D structure of LOBETYOLIN
2D structure
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3D model

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

Names and identifiers

Name

LOBETYOLIN

IUPAC name

(2S,3S,4R,5R,6S)-2-(((4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

SMILES

C\C(=C(\C#CC#CC(C(\C(=C(\CCCO)[H])[H])O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O)[H])[H]

General information

Molecular formula

C20H28O8

Molecular weight

396.44 g/mol

Monoisotopic mass

396.1784 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Campanula medium L. root -
Tada, H., Nakashima, T., Kunitake, H., Mori, K., Tanaka, M., Ishimaru, K. (1996). Polyacetylenes in hairy root cultures of Campanula medium L. J Plant Physiol, 147(5), 617-619 doi:10.1016/s0176-1617(96)80056-3