LIPID MAPS

Structure Database (LMSD)

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Common Name

Epiafzelechin 5-O-beta-D-glucopyranoside

Systematic Name

Synonyms

LM ID

LMPK12020030

Formula

C₂₁H₂₄O₁₀

Exact Mass

Calculate m/z

436.13695

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

FKEOHZPUDDAEDB-NJOLZHPTSA-N

InChi (Click to copy)

InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-6,13,16-28H,7-8H2/t13-,16-,17-,18+,19-,20-,21-/m1/s1

SMILES (Click to copy)

C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@H](O)CC2=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID

FL63AAGS0006

PubChem CID

14580549

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 4

Aromatic Rings 2

Rotatable Bonds 4

Van der Waals Molecular Volume 372.68

Topological Polar Surface Area 173.44

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 10

logP 1.32

Molar Refractivity 107.25

Admin

Created at

Updated at

15th Oct 2021