LIPID MAPS

Structure Database (LMSD)

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Common Name

Isosaponarin

Systematic Name

2-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-6-(β-D-glucopyranosyl)-4H-1-benzopyran-4-one

Synonyms

Isovitexin 4'-O-glucoside

LM ID

LMPK12110312

Formula

C₂₇H₃₀O₁₅

Exact Mass

Calculate m/z

594.158476

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Gentiana (#21496)

Magnoliopsida (#3398)

Contribution à la phytochimie du genre Gentiana III. Etude des composés flavoniques et xanthoniques dans les feuilles de Gentiana lutea L. (2me communication),
Helv Chim Acta, 1973

DOI: 10.1002/hlca.19730560842Digital Object Identifier (DOI)

String Representations

InChiKey (Click to copy)

SFNFQCXADNWOCI-KETMJRJWSA-N

InChi (Click to copy)

InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(41-15)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(4-2-9)39-27-25(38)23(36)20(33)16(8-29)42-27/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

SMILES (Click to copy)

C1(O)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1