Structure Database (LMSD)

Systematic Name
5,7,2',6'-Tetrahydroxyflavanone
Synonyms
LM ID
LMPK12140121
Formula
C15H12O6
Exact Mass
Calculate m/z
288.06339
Status
Curated
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)
TWELZOKMSAJRKP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O6/c16-7-4-10(19)15-11(20)6-13(21-12(15)5-7)14-8(17)2-1-3-9(14)18/h1-5,13,16-19H,6H2
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC=CC=3O)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FA8NS0001
PubChem CID
42607849

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 243.44
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.22
Molar Refractivity 71.86

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Updated at
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