Structure Database (LMSD)

Common Name
Luteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Systematic Name
Synonyms
LM ID
LMPK12110702
Formula
C27H28O15
Exact Mass
Calculate m/z
592.142825
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
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
YDYBENNBRUQBCG-KJTOLNCNSA-N
InChi (Click to copy)
InChI=1S/C27H28O15/c1-27(38,8-20(32)33)9-21(34)39-10-19-23(35)24(36)25(37)26(42-19)40-12-5-15(30)22-16(31)7-17(41-18(22)6-12)11-2-3-13(28)14(29)4-11/h2-7,19,23-26,28-30,35-38H,8-10H2,1H3,(H,32,33)/t19-,23-,24+,25-,26-,27?/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(O)(C)CC(O)=O)=O)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACGS0067
PubChem CID
101428115

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 4
Aromatic Rings 3
Rotatable Bonds 10
Van der Waals Molecular Volume 498.97
Topological Polar Surface Area 255.95
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 15
logP 2.83
Molar Refractivity 142.35

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Created at
-
Updated at
23rd Dec 2021