Structure Database (LMSD)

Systematic Name
3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
Synonyms
LM ID
LMPK12113348
Formula
C19H16O9
Exact Mass
Calculate m/z
388.079435
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)
VEJKPQYWRAAMHA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H16O9/c1-23-17-13(21)11-12(20)14(22)15(28-16(11)18(24-2)19(17)25-3)8-4-5-9-10(6-8)27-7-26-9/h4-6,21-22H,7H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC4OCOC=4C=3)=C(O)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FGCNS0022
PubChem CID
9977553

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 313.11
Topological Polar Surface Area 120.96
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
logP 3.53
Molar Refractivity 97.14

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Updated at
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