Structure Database (LMSD)

Common Name
Anhydrovariabilin
Systematic Name
3,9-Dimethoxypterocarpene
Synonyms
LM ID
LMPK12070150
Formula
C17H14O4
Exact Mass
Calculate m/z
282.08921
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)
FLEXCYTURSFUNC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8H,9H2,1-2H3
SMILES (Click to copy)
C1(OC)C=CC2C3OC4=CC(OC)=CC=C4C=3COC=2C=1

Other Databases

CHEBI ID
193182
METABOLOMICS ID
FLIDWXNS0002
PubChem CID
624785

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 248.10
Topological Polar Surface Area 41.06
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.64
Molar Refractivity 79.42

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