Structure Database (LMSD)

Common Name
Eriodictyol
Systematic Name
Synonyms
LM ID
LMPK12140002
Status
Active
Exact Mass
Calculate m/z
288.06339
Formula
C15H12O6
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
View ion mobility data
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
SBHXYTNGIZCORC-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3=CC=C(O)C(O)=C3)CC(=O)C2=C(O)C=1

References

Other Databases

Wikipedia
Eriodictyol
KEGG ID
C05631
HMDB ID
HMDB0005810
CHEBI ID
28412
PubChem CID
440735
Cayman ID
26803

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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