LIPID MAPS

Structure Database (LMSD)

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Common Name

Ent-afzelechin-7-O-beta-D-glucopyranoside

Systematic Name

Synonyms

LM ID

LMPK12020033

Formula

C₂₁H₂₄O₁₀

Exact Mass

Calculate m/z

436.13695

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

BUZPALUBBJZNNV-ZZIZYRMTSA-N

InChi (Click to copy)

InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)29-11-5-13(24)12-7-14(25)20(30-15(12)6-11)9-1-3-10(23)4-2-9/h1-6,14,16-28H,7-8H2/t14-,16-,17-,18+,19-,20+,21-/m1/s1

SMILES (Click to copy)

C12C[C@@H](O)[C@H](C3C=CC(O)=CC=3)OC=1C=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C=C2O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID

182269

METABOLOMICS ID

FL63AAGS0009

PubChem CID

75528886

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