Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 6-glucuronide
Systematic Name
Synonyms
LM ID
LMPK12111179
Formula
C21H18O13
Exact Mass
Calculate m/z
478.074745
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
HEFXLSNFDQADIU-BHWDSYMASA-N
InChi (Click to copy)
InChI=1S/C21H18O13/c22-7-2-1-6(3-8(7)23)11-4-9(24)13-12(32-11)5-10(25)18(14(13)26)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-5,15-17,19,21-23,25-29H,(H,30,31)/t15-,16-,17+,19-,21+/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1

Other Databases

METABOLOMICS ID
FL3FECGS0006
PubChem CID
44258479

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 380.23
Topological Polar Surface Area 229.65
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 13
logP 1.89
Molar Refractivity 112.19

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Created at
-
Updated at
4th Nov 2021