Structure Database (LMSD)

Common Name
2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
Systematic Name
Synonyms
LM ID
LMPK12112767
Formula
C20H20O7
Exact Mass
Calculate m/z
372.120905
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)
AWXHAWRTEQFRHZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-10-13(24-3)9-15-16(17(10)21)18(22)20(26-5)19(27-15)11-6-7-12(23-2)14(8-11)25-4/h6-9,21H,1-5H3
SMILES (Click to copy)
C12=C(O)C(C)=C(OC)C=C1OC(C1=CC=C(OC)C(OC)=C1)=C(OC)C2=O

Other Databases

METABOLOMICS ID
FL5FDFNM0001
PubChem CID
44259702

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 325.19
Topological Polar Surface Area 87.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.41
Molar Refractivity 100.64

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Updated at
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