Structure Database (LMSD)

Systematic Name
2β-5,7-Trihydroxyflavanone
Synonyms
LM ID
LMPK12140219
Formula
C15H12O5
Exact Mass
Calculate m/z
272.068475
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)
KRSTWHCNVMDXQW-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-10-6-11(17)14-12(18)8-15(19,20-13(14)7-10)9-4-2-1-3-5-9/h1-7,16-17,19H,8H2/t15-/m0/s1
SMILES (Click to copy)
C1C(O)=CC2O[C@](O)(C3C=CC=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
141996
METABOLOMICS ID
FL2FA9NS0006
PubChem CID
42607887

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 234.65
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 1.91
Molar Refractivity 69.69

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Updated at
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