Structure Database (LMSD)

Common Name
8-C-Methylgalangin
Systematic Name
Synonyms
LM ID
LMPK12111642
Formula
C16H12O5
Exact Mass
Calculate m/z
284.068475
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)
SZEGGRGYVVQDCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O5/c1-8-10(17)7-11(18)12-13(19)14(20)16(21-15(8)12)9-5-3-2-4-6-9/h2-7,17-18,20H,1H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FA9NM0001
PubChem CID
44258729

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 238.41
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.79
Molar Refractivity 77.76

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