HYPOCHOEROSIDE I

Structure

2D structure of HYPOCHOEROSIDE I
2D structure
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3D model

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

Names and identifiers

Name

HYPOCHOEROSIDE I

IUPAC name

(3aR,7aS,8S,9aS)-8-methyl-3-methylene-5-((((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2,7-dione

SMILES

[C@@H]1(C[C@H]4[C@H](C=C2[C@H]1C(C=C2CO[C@@H]3[C@H]([C@@H]([C@H]([C@H](CO)O3)O)O)O)=O)C(C(O4)=O)=C)C

General information

Molecular formula

C21H26O9

Molecular weight

422.43 g/mol

Monoisotopic mass

422.1577 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Hypochaeris radicata L. - -
Sesquiterpenoids as chemosystematic markers in the subtribe Hypochaeridinae (Lactuceae, Asteraceae) doi:10.1016/j.bse.2005.08.001