Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone
Synonyms
LM ID
LMPK12113385
Formula
C21H22O10
Exact Mass
Calculate m/z
434.1213
Status
Active
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)
DUKJDRDRSGUTCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O10/c1-25-10-8-12(27-3)11(26-2)7-9(10)17-20(29-5)15(23)13-14(22)19(28-4)16(24)21(30-6)18(13)31-17/h7-8,22,24H,1-6H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C(OC)=CC(OC)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

CHEBI ID
196631
METABOLOMICS ID
FL5FGLNS0012
PubChem CID
13942676

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 368.86
Topological Polar Surface Area 126.05
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 10
logP 3.82
Molar Refractivity 110.67

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Updated at
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