Structure Database (LMSD)

Common Name
Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate)
Systematic Name
Synonyms
LM ID
LMPK12110717
Formula
C26H26O12
Exact Mass
Calculate m/z
530.14243
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
VEORDRJFZGGQLP-YQROEJBVSA-N
InChi (Click to copy)
InChI=1S/C26H26O12/c1-3-11(2)25(34)37-17-5-4-12(6-14(17)28)18-9-16(30)21-15(29)7-13(8-19(21)36-18)35-26-24(33)23(32)22(31)20(10-27)38-26/h3-9,20,22-24,26-29,31-33H,10H2,1-2H3/b11-3-/t20-,22-,23+,24-,26-/m1/s1
SMILES (Click to copy)
C1C=C(OC(/C(=C\C)/C)=O)C(O)=CC=1C1=CC(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1

References

Taxonomy Information

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

Other Databases

CHEBI ID
85149
METABOLOMICS ID
FL3FACGS0083
PubChem CID
91666353

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 455.30
Topological Polar Surface Area 198.42
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 3.54
Molar Refractivity 133.87

Admin

Created at
-
Updated at
23rd Dec 2021