Structure Database (LMSD)

Systematic Name
7-Hydroxy-6,2',4',5'-tetramethoxyisoflavone
Synonyms
LM ID
LMPK12050126
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
HCBHUSZRPOFQMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-14-8-18(25-4)17(24-3)5-10(14)12-9-26-15-7-13(20)16(23-2)6-11(15)19(12)21/h5-9,20H,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=C(OC)C(OC)=CC=3OC)C(=O)C=2C=C1OC

Other Databases

CHEBI ID
55551
METABOLOMICS ID
FLIA2LNS0004
PubChem CID
25202158

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 87.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.10
Molar Refractivity 95.90

Admin

Created at
-
Updated at
-