Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-4'-methoxy-8-methylflavanone
Synonyms
LM ID
LMPK12140352
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)
ZUPNDQXBQBIBPZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-9-12(18)7-13(19)16-14(20)8-15(22-17(9)16)10-3-5-11(21-2)6-4-10/h3-7,15,18-19H,8H2,1-2H3
SMILES (Click to copy)
C1(O)C(C)=C2OC(C3C=CC(OC)=CC=3)CC(=O)C2=C(O)C=1

Other Databases

HMDB ID
HMDB0041321
CHEBI ID
174869
METABOLOMICS ID
FL2FABNM0002
PubChem CID
42607960

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 269.25
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.12
Molar Refractivity 79.82

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Updated at
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