Structure Database (LMSD)

Common Name
3'-Methoxydihydroformononetin
Systematic Name
7-Hydroxy-3',4'-dimethoxyisoflavanone
Synonyms
LM ID
LMPK12050450
Formula
C17H16O5
Exact Mass
Calculate m/z
300.099775
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SDVPVQSRXRGBGT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-8,13,18H,9H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(OC)C(OC)=C3)C(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0130378
METABOLOMICS ID
FLIB1CNS0002
PubChem CID
14235238

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 269.25
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.05
Molar Refractivity 80.71

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