Structure Database (LMSD)

Systematic Name
5,7,3',4',5'-Pentahydroxyflavanone
Synonyms
LM ID
LMPK12140455
Formula
C15H12O7
Exact Mass
Calculate m/z
304.058305
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)
USQXPEWRYWRRJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-4,12,16-17,19-21H,5H2
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)CC(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0126033
CHEBI ID
25882
METABOLOMICS ID
FL2FAGNS0001
PubChem CID
5258991

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 252.23
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 1.92
Molar Refractivity 73.52

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Updated at
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