Structure Database (LMSD)

Common Name
Luteolin 7-(2''-glucuronosyllactate)
Systematic Name
5,7,3',4'-Tetrahydroxyflavone 7-(2''-glucuronosyllactate)
Synonyms
LM ID
LMPK12110695
Formula
C24H22O14
Exact Mass
Calculate m/z
534.10096
Status
Active
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
Marrubium vulgare (#41230)
Magnoliopsida (#3398)
Flavonoid lactates from leaves of Marrubium vulgare,
Phytochemistry, 1989
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
MANYEARKZBQLSB-SEQAICNKSA-N
InChi (Click to copy)
InChI=1S/C24H22O14/c1-8(35-24-20(31)18(29)19(30)21(38-24)22(32)33)23(34)36-10-5-13(27)17-14(28)7-15(37-16(17)6-10)9-2-3-11(25)12(26)4-9/h2-8,18-21,24-27,29-31H,1H3,(H,32,33)/t8?,18-,19-,20+,21-,24+/m0/s1
SMILES (Click to copy)
C1(OC(C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)C)=O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACGS0060
PubChem CID
44258119

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 438.28
Topological Polar Surface Area 235.72
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 2.40
Molar Refractivity 126.59

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Created at
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Updated at
19th Jun 2024