Structure Database (LMSD)

OH HO OH O O
Systematic Name
5,7,3'-Trihydroxyflavanone
Synonyms
LM ID
LMPK12140220
Formula
C15H12O5
Exact Mass
Calculate m/z
272.068475
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
NJWJQMLMBXIOJW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
SMILES (Click to copy)
C1C(O)=CC2OC(C3C=C(O)C=CC=3)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0126021
METABOLOMICS ID
FL2FA9NS0007
PubChem CID
113638

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 2.51
Molar Refractivity 70.19

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Updated at
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