Structure Database (LMSD)

Systematic Name
3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
Synonyms
LM ID
LMPK12113026
Formula
C17H12O8
Exact Mass
Calculate m/z
344.05322
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)
PMVMMASHOBXCTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H12O8/c1-22-9-3-2-7(4-8(9)18)16-15(21)13(19)12-10(25-16)5-11-17(14(12)20)24-6-23-11/h2-5,18,20-21H,6H2,1H3
SMILES (Click to copy)
C12=C(O)C3OCOC=3C=C1OC(C1=CC(O)=C(OC)C=C1)=C(O)C2=O

Other Databases

METABOLOMICS ID
FL5FECNS0045
PubChem CID
10246876

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 280.62
Topological Polar Surface Area 120.89
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
logP 2.34
Molar Refractivity 83.40

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Updated at
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