Structure Database (LMSD)

Systematic Name
5,7,2'-Trihydroxy-6'-methoxyflavone
Synonyms
LM ID
LMPK12110127
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)
DXCJDOXICXPVHQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O6/c1-21-12-4-2-3-9(18)16(12)14-7-11(20)15-10(19)5-8(17)6-13(15)22-14/h2-7,17-19H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC=CC=3OC)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FA8NS0003
PubChem CID
13889369

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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