Structure Database (LMSD)

Systematic Name
5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone
Synonyms
LM ID
LMPK12111427
Formula
C17H14O8
Exact Mass
Calculate m/z
346.06887
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)
JJBOLVRIGHFVHG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O8/c1-23-16-14(22)13(21)12-9(20)6-10(25-15(12)17(16)24-2)11-7(18)4-3-5-8(11)19/h3-6,18-19,21-22H,1-2H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C(O)=CC=CC=3O)=CC(=O)C=2C(O)=C1O

Other Databases

METABOLOMICS ID
FL3FG8NS0005
PubChem CID
15101161

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 282.08
Topological Polar Surface Area 129.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.20
Molar Refractivity 87.79

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Updated at
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