Structure Database (LMSD)

Systematic Name
6,7,4'-Trihydroxy-3',5'-dimethoxyflavone
Synonyms
LM ID
LMPK12110072
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
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)
MREYMOHETAHVAQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-15-3-8(4-16(23-2)17(15)21)13-6-10(18)9-5-11(19)12(20)7-14(9)24-13/h3-7,19-21H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(OC)C(O)=C(OC)C=3)OC=1C=C(O)C(O)=C2

Other Databases

METABOLOMICS ID
FL3F2GNS0004
PubChem CID
10471807

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 86.13

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Updated at
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