Structure Database (LMSD)

Common Name
Lisetin
Systematic Name
Synonyms
LM ID
LMPK12160003
Formula
C21H18O7
Exact Mass
Calculate m/z
382.105255
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KOHGMAFQELVQRG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O7/c1-9(2)4-5-11-18(24)15(26-3)8-12-16-19(25)17-13(23)6-10(22)7-14(17)27-21(16)28-20(11)12/h4,6-8,22-24H,5H2,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC3OC4=C(C=C(OC)C(O)=C4C/C=C(/C)\C)C=3C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIG1LNI0001
PubChem CID
44260098

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 316.59
Topological Polar Surface Area 113.27
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.23
Molar Refractivity 104.55

Admin

Created at
-
Updated at
-