Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
Synonyms
LM ID
LMPK12140672
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)
SIBOXXWFOGWBSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O7/c1-22-14-5-8(3-4-9(14)18)13-7-11(20)15-10(19)6-12(21)16(23-2)17(15)24-13/h3-6,13,18-19,21H,7H2,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(OC)C(O)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FFCNS0001
PubChem CID
15087900

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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