Structure Database (LMSD)

Common Name
6-Methoxyorobol 7-methyl ether
Systematic Name
5,3',4'-Trihydroxy-6,7-dimethoxyisoflavone
Synonyms
LM ID
LMPK12050411
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
Status
Active
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)
YYEWFJTXAQPADA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-13-6-12-14(16(21)17(13)23-2)15(20)9(7-24-12)8-3-4-10(18)11(19)5-8/h3-7,18-19,21H,1-2H3
SMILES (Click to copy)
C1(OC)C(OC)=C(O)C2C(=O)C(C3=CC(O)=C(O)C=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAECNS0010
PubChem CID
13845971

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 86.13

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Updated at
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