Structure Database (LMSD)

Common Name
Tricin 4'-glucoside
Systematic Name
Synonyms
LM ID
LMPK12110865
Formula
C23H24O12
Exact Mass
Calculate m/z
492.12678
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)
NNPNGGZYCSGJIQ-SQKWCZRTSA-N
InChi (Click to copy)
InChI=1S/C23H24O12/c1-31-15-3-9(13-7-12(27)18-11(26)5-10(25)6-14(18)33-13)4-16(32-2)22(15)35-23-21(30)20(29)19(28)17(8-24)34-23/h3-7,17,19-21,23-26,28-30H,8H2,1-2H3/t17-,19-,20+,21-,23+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C(OC)C=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FAIGS0007
PubChem CID
44258272

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 408.68
Topological Polar Surface Area 190.58
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 2.68
Molar Refractivity 121.91

Admin

Created at
-
Updated at
29th Nov 2021