Structure Database (LMSD)

Systematic Name
5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
Synonyms
LM ID
LMPK12140646
Formula
C17H16O7
Exact Mass
Calculate m/z
332.089605
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)
GEYJPRIXUQREOJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O7/c1-22-14-7-12(21)15-11(20)6-13(24-17(15)16(14)23-2)9-5-8(18)3-4-10(9)19/h3-5,7,13,18-19,21H,6H2,1-2H3
SMILES (Click to copy)
C1C(OC)=C(OC)C2OC(C3C(O)=CC=C(O)C=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FF8NS0004
PubChem CID
13889013

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 286.83
Topological Polar Surface Area 107.52
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.53
Molar Refractivity 83.30

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Updated at
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