Structure Database (LMSD)

Systematic Name
5,8-Dihydroxy-7-methoxyflavanone
Synonyms
LM ID
LMPK12140663
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
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)
AIUFGSSCCIXONA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-20-13-8-11(18)14-10(17)7-12(21-16(14)15(13)19)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3
SMILES (Click to copy)
C1C(OC)=C(O)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
178312
METABOLOMICS ID
FL2FF9NS0007
PubChem CID
13888646

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 251.95
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.81
Molar Refractivity 75.08

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Updated at
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