Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside
Synonyms
LM ID
LMPK12111294
Formula
C25H28O12
Exact Mass
Calculate m/z
520.15808
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)
PPQXLPYIRAWACL-PKPXASJOSA-N
InChi (Click to copy)
InChI=1S/C25H28O12/c1-31-13-7-5-6-11(22(13)33-3)14-8-12(27)18-15(9-16(32-2)23(34-4)24(18)35-14)36-25-21(30)20(29)19(28)17(10-26)37-25/h5-9,17,19-21,25-26,28-30H,10H2,1-4H3/t17-,19-,20+,21-,25-/m1/s1
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C(OC)=C(OC)C=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1

Other Databases

METABOLOMICS ID
FL3FF8GS0005
PubChem CID
11972378

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 443.28
Topological Polar Surface Area 168.58
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
logP 3.29
Molar Refractivity 131.68

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Created at
-
Updated at
23rd Dec 2021