Structure Database (LMSD)

Systematic Name
7,8-Dihydroxy-6,4'-dimethoxyflavanone
Synonyms
LM ID
LMPK12140099
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)
CEKYFXJLACPHJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-10-5-3-9(4-6-10)13-8-12(18)11-7-14(22-2)15(19)16(20)17(11)23-13/h3-7,13,19-20H,8H2,1-2H3
SMILES (Click to copy)
C1(O)C(O)=C2OC(C3C=CC(OC)=CC=3)CC(=O)C2=CC=1OC

Other Databases

METABOLOMICS ID
FL2F4ANS0001
PubChem CID
42607838

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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