Structure Database (LMSD)

Systematic Name
7-Methoxy-3,6,3',4'-tetrahydroxyflavone
Synonyms
LM ID
LMPK12111595
Formula
C16H12O7
Exact Mass
Calculate m/z
316.058305
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)
DZMMKNCBWCZLDC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O7/c1-22-13-6-12-8(5-11(13)19)14(20)15(21)16(23-12)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
SMILES (Click to copy)
C12C(=O)C(O)=C(C3C=C(O)C(O)=CC=3)OC=1C=C(OC)C(O)=C2

Other Databases

METABOLOMICS ID
FL5F2CNS0004
PubChem CID
21159096

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 255.99
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.19
Molar Refractivity 81.24

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Updated at
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