Structure Database (LMSD)

Common Name
Maximaisoflavone D
Systematic Name
7,8-Methylenedioxy-3',4'-dimethoxyisoflavone
Synonyms
LM ID
LMPK12050144
Formula
C18H14O6
Exact Mass
Calculate m/z
326.07904
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)
BURSEYYMJTXRQK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O6/c1-20-13-5-3-10(7-15(13)21-2)12-8-22-17-11(16(12)19)4-6-14-18(17)24-9-23-14/h3-8H,9H2,1-2H3
SMILES (Click to copy)
C12OCOC=1C1OC=C(C3=CC(OC)=C(OC)C=C3)C(=O)C=1C=C2

Other Databases

CHEBI ID
196327
METABOLOMICS ID
FLIA3CNS0005
PubChem CID
343081

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 269.44
Topological Polar Surface Area 71.27
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.11
Molar Refractivity 87.25

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Updated at
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