Structure Database (LMSD)

OH OH OH O O HO HO O O O O
Common Name
Naringenin 7-O-beta-D-glucoside 6''-acetate
Systematic Name
5,7,4'-Trihydroxyflavanone 7-(6-acetylglucoside)
Synonyms
LM ID
LMPK12140257
Formula
C23H24O11
Exact Mass
Calculate m/z
476.131865
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
WOWQBWNVGFBXQH-FPKZUJDXSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-7,16,18,20-23,25-26,28-30H,8-9H2,1H3/t16-,18+,20+,21-,22+,23+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O2)C=C(O)C2C(=O)C[C@@H](C3C=CC(O)=CC=3)OC=2C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAAGS0023
PubChem CID
42607920

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 410.79
Topological Polar Surface Area 176.35
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.27
Molar Refractivity 115.52

Admin

Created at
-
Updated at
14th Oct 2021