IRILONE-4'-O-BETA-D-GLUCOSIDE

Structure

2D structure of IRILONE-4'-O-BETA-D-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

IRILONE-4'-O-BETA-D-GLUCOSIDE

IUPAC name

7-(4-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-8H-[1,3]dioxolo[4,5-g]chromen-8-one

SMILES

OC[C@@H]5O[C@H](OC1=CC=C(C=C1)C4=COC3=C(C=C2OCOC2=C3)C4=O)[C@@H](O)[C@H](O)[C@H]5O

General information

Molecular formula

C22H20O10

Molecular weight

444.39 g/mol

Monoisotopic mass

444.1056 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Iris germanica L. rhizome -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Trifolium pratense L. subsp. pratense leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.