Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-8,2'-dimethoxyflavanone
Synonyms
LM ID
LMPK12140643
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
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)
MHHPUBIEHKYLJL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-13-6-4-3-5-9(13)14-8-11(19)15-10(18)7-12(20)16(22-2)17(15)23-14/h3-7,14,18,20H,8H2,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C(OC)=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FF8NS0001
PubChem CID
21636235

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 87.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.82
Molar Refractivity 81.63

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Updated at
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