HERBACETRIN

Structure

2D structure of HERBACETRIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 124604013

Names and identifiers

Name

HERBACETRIN

IUPAC name

3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

SMILES

CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)C

General information

Molecular formula

C27H30O11

Molecular weight

530.53 g/mol

Monoisotopic mass

530.1788 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Equisetum arvense L. - -
Pedersen, M. 1987. Nutritional Herbology. Pederson Publishing. Bountiful, Utah. 377 pp.