LIPID MAPS

Structure Database (LMSD)

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Common Name

Dihydrobaicalein 7-O-glucuronide

Systematic Name

5,6,7-Trihydroxyflavanone 7-O-glucuronide

Synonyms

LM ID

LMPK12140605

Formula

C₂₁H₂₀O₁₁

Exact Mass

Calculate m/z

448.100565

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/

Scutellaria galericulata (#53169)

Magnoliopsida (#3398)

Intraspecific variability of phenolic compounds in Scutellaria galericulata,
Rastitel'nye Resursy, 1976

String Representations

InChiKey (Click to copy)

UVNUGBQJLDGZKE-UHSUVFMESA-N

InChi (Click to copy)

InChI=1S/C21H20O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-5,7,10,16-19,21,23-27H,6H2,(H,28,29)/t10?,16-,17-,18+,19-,21+/m0/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1O

Other Databases

HMDB ID

HMDB0134900

METABOLOMICS ID

FL2FE9GS0001

PubChem CID

5316693

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 4

Aromatic Rings 2

Rotatable Bonds 4

Van der Waals Molecular Volume 376.19

Topological Polar Surface Area 187.35

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 11

logP 1.51

Molar Refractivity 106.04

Admin

Created at

Updated at

8th May 2026