Structure Database (LMSD)

Systematic Name
5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone
Synonyms
LM ID
LMPK12111267
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)
IRXAPKVAVMWNLX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O8/c1-23-13-6-12-14(16(22)17(13)24-2)8(18)5-11(25-12)7-3-9(19)15(21)10(20)4-7/h3-6,19-22H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=CC(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL3FEGNS0001
PubChem CID
44258534

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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