Structure Database (LMSD)

Systematic Name
5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Synonyms
LM ID
LMPK12113289
Formula
C22H22O10
Exact Mass
Calculate m/z
446.1213
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)
LGSBUEVZHHWMRT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H22O10/c1-10(23)31-20-14(27-3)9-12(24)15-16(25)22(30-6)18(32-21(15)20)11-7-8-13(26-2)19(29-5)17(11)28-4/h7-9,24H,1-6H3
SMILES (Click to copy)
C1(OC)=C(OC(=O)C)C2OC(C3C(OC)=C(OC)C(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FFLNS0007
PubChem CID
44260045

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 383.52
Topological Polar Surface Area 122.89
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
logP 4.03
Molar Refractivity 113.76

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Updated at
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