APTERIN

Structure

2D structure of APTERIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 57459455

Names and identifiers

Name

APTERIN

IUPAC name

(8S,9R)-9-hydroxy-8-(2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-8,9-dihydro-2H-furo[2,3-h]chromen-2-one

SMILES

CC(C)([C@@H]1[C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

General information

Molecular formula

C20H24O10

Molecular weight

424.40 g/mol

Monoisotopic mass

424.1369 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Aegopodium podagraria L. root -
Fischer, F.C., Baerheim-svendsen, A. (1976). Apterin, a common furanocoumarin glycoside in the Umbelliferae. Phytochemistry, 15, 1079-1080 doi:10.1016/s0031-9422(00)84416-7
Pastinaca sativa L. subsp. sativa root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.