Structure Database (LMSD)

Common Name
8-C-beta-D-Glucofuranosylapigenin 2''-O-acetate
Systematic Name
Synonyms
LM ID
LMPK12110282
Formula
C23H22O11
Exact Mass
Calculate m/z
474.116215
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)
MOUVVAJSRUZRJN-LFGRVDMKSA-N
InChi (Click to copy)
InChI=1S/C23H22O11/c1-9(25)32-23-19(31)20(15(30)8-24)34-22(23)18-13(28)6-12(27)17-14(29)7-16(33-21(17)18)10-2-4-11(26)5-3-10/h2-7,15,19-20,22-24,26-28,30-31H,8H2,1H3/t15-,19+,20-,22+,23-/m1/s1
SMILES (Click to copy)
O(C(C)=O)[C@H]1[C@H](C2C3OC(=CC(C=3C(=CC=2O)O)=O)C2=CC=C(C=C2)O)O[C@H]([C@@H](CO)O)[C@@H]1O

Other Databases

METABOLOMICS ID
FL3FAACS0092
PubChem CID
21575207

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 397.25
Topological Polar Surface Area 189.19
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 2.99
Molar Refractivity 117.83

Admin

Created at
-
Updated at
9th Jan 2022