LIPID MAPS

Structure Database (LMSD)

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Common Name

Herbacetin 7-methyl ether 3-(2''-(E)-feruloylglucoside)

Systematic Name

5,8-Dihydroxy-3- [ [ 2-O- [ (2E) -3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Synonyms

7-O-methylherbacetin 3-O-[2-O-E-feruloyl-beta-D-glucoside]

LM ID

LMPK12113142

Formula

C₃₂H₃₀O₁₅

Exact Mass

Calculate m/z

654.158476

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/

Ranunculus sardous (#35930)

Magnoliopsida (#3398)

An unusually lipophilic flavonol glycoside from Ranunculus sardous pollen,
Phytochemistry, 1997

DOI: 10.1016/S0031-9422(96)00728-5

String Representations

InChiKey (Click to copy)

ZRJRMZVLTQXGBI-VDNSIIFUSA-N

InChi (Click to copy)

InChI=1S/C32H30O15/c1-42-19-11-14(3-9-17(19)35)4-10-22(37)45-31-27(41)24(38)21(13-33)44-32(31)47-30-26(40)23-18(36)12-20(43-2)25(39)29(23)46-28(30)15-5-7-16(34)8-6-15/h3-12,21,24,27,31-36,38-39,41H,13H2,1-2H3/b10-4+/t21-,24-,27+,31-,32+/m1/s1

SMILES (Click to copy)

C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](OC(/C=C/C3C=CC(O)=C(OC)C=3)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(OC)=C(O)C=2O1