Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,8-dimethoxyflavanone
Synonyms
LM ID
LMPK12140659
Formula
C17H16O5
Exact Mass
Calculate m/z
300.099775
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
VPGMCCIECGDASG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-7,9,13,19H,8H2,1-2H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FF9NS0003
PubChem CID
13963770

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 269.25
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.12
Molar Refractivity 79.97

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