Structure Database (LMSD)

Systematic Name
5,2',6'-Trihydroxy-7-methoxyflavone
Synonyms
LM ID
LMPK12110135
Formula
C16H12O6
Exact Mass
Calculate m/z
300.06339
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)
UAAZSBRHWYSPEI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O6/c1-21-8-5-11(19)16-12(20)7-14(22-13(16)6-8)15-9(17)3-2-4-10(15)18/h2-7,17-19H,1H3
SMILES (Click to copy)
C12C(=O)C=C(C3C(O)=CC=CC=3O)OC=1C=C(OC)C=C2O

Other Databases

METABOLOMICS ID
FL3FA8NS0011
PubChem CID
10946502

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 247.20
Topological Polar Surface Area 100.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.49
Molar Refractivity 79.57

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Updated at
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