Structure Database (LMSD)

Common Name
4-Methoxypterocarpin
Systematic Name
Synonyms
LM ID
LMPK12070083
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FNOOADLKGGWRGC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-19-12-4-3-9-16-11(7-21-17(9)18(12)20-2)10-5-14-15(23-8-22-14)6-13(10)24-16/h3-6,11,16H,7-8H2,1-2H3
SMILES (Click to copy)
C1(OC)C=CC2C3OC4=CC5OCOC=5C=C4C3COC=2C=1OC

Other Databases

METABOLOMICS ID
FLID3CNS0004
PubChem CID
630068

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 273.26
Topological Polar Surface Area 63.66
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.33
Molar Refractivity 84.21

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