Structure Database (LMSD)

O OH HO HO OH O O
Systematic Name
5,7,2',5'-Tetrahydroxy-6-methoxyflavanone
Synonyms
LM ID
LMPK12140600
Formula
C16H14O7
Exact Mass
Calculate m/z
318.073955
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OKLFAIHKOAWGQC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)8-4-7(17)2-3-9(8)18/h2-4,6,12,17-18,20-21H,5H2,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC=C(O)C=3)CC(=O)C=2C(O)=C1OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
180608
METABOLOMICS ID
FL2FE8NS0002
PubChem CID
14135321

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 269.53
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.22
Molar Refractivity 78.41

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Updated at
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