LIPID MAPS

Structure Database (LMSD)

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Common Name

Isoorientin 2''-O-(E)-ferulate

Systematic Name

6-[2-O-(4-Hydroxy-3-methoxycinnamoyl)-β-D-glucopyranosyl]-3',4',5,7-tetrahydroxyflavone

Synonyms

trans-Feruloyl-2''-isoorientin

LM ID

LMPK12110505

Formula

C₃₁H₂₈O₁₄

Exact Mass

Calculate m/z

624.147911

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Gentiana burseri (#38850)

Magnoliopsida (#3398)

Contribution à la phytochimie du genre Gentian, XI† Identification de nouveaux dérivés de l'iso-orientine extraits des feuilles de Gentiana burseri Lapeyr,
Helv Chim Acta, 1975

DOI: 10.1002/hlca.19750580526Digital Object Identifier (DOI)

String Representations

InChiKey (Click to copy)

RCTFTHQFTNXXON-DOKXGNKGSA-N

InChi (Click to copy)

InChI=1S/C31H28O14/c1-42-21-8-13(2-5-16(21)34)3-7-24(38)45-31-29(41)27(39)23(12-32)44-30(31)26-19(37)11-22-25(28(26)40)18(36)10-20(43-22)14-4-6-15(33)17(35)9-14/h2-11,23,27,29-35,37,39-41H,12H2,1H3/b7-3+/t23-,27-,29+,30+,31-/m1/s1

SMILES (Click to copy)

C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](OC(/C=C/C2C=CC(O)=C(OC)C=2)=O)[C@@H](O)[C@H](O)[C@@H](CO)O1