Structure Database (LMSD)

Systematic Name
7-Hydroxyflavanone
Synonyms
LM ID
LMPK12140018
Formula
C15H12O3
Exact Mass
Calculate m/z
240.078645
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)
SWAJPHCXKPCPQZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=C1

Other Databases

KEGG ID
C14290
CHEBI ID
34483
METABOLOMICS ID
FL2F19NS0001
PubChem CID
1890

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 217.07
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.10
Molar Refractivity 66.87

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