Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxy-8-methoxyflavanone
Synonyms
LM ID
LMPK12140670
Formula
C16H14O6
Exact Mass
Calculate m/z
302.07904
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)
OJCCBPWPNVUJFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-6,13,17-18,20H,7H2,1H3
SMILES (Click to copy)
C1C(O)=C(OC)C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FFANS0004
PubChem CID
42608119

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 260.74
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 76.75

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Updated at
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