Structure Database (LMSD)

Systematic Name
7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
Synonyms
LM ID
LMPK12111496
Formula
C20H18O9
Exact Mass
Calculate m/z
402.095085
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)
CGTBQRCRPZRVCN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O9/c1-23-12-5-9(6-13-16(12)28-8-27-13)11-7-10(21)14-17(24-2)19(25-3)15(22)20(26-4)18(14)29-11/h5-7,22H,8H2,1-4H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(OC)C4OCOC=4C=3)=CC(=O)C=2C(OC)=C1OC

Other Databases

METABOLOMICS ID
FL3FGGNS0010
PubChem CID
14162686

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 330.41
Topological Polar Surface Area 109.96
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
logP 3.83
Molar Refractivity 102.02

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Updated at
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