Structure Database (LMSD)

Common Name
Anhydroglycinol
Systematic Name
3,9-Dihydroxypterocarpene
Synonyms
LM ID
LMPK12070149
Formula
C15H10O4
Exact Mass
Calculate m/z
254.05791
Status
Active
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)
WYIDBNAGSMCMET-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2
SMILES (Click to copy)
C1(O)=CC2OCC3C4C=CC(O)=CC=4OC=3C=2C=C1

Other Databases

KEGG ID
C10200
CHEBI ID
2727
METABOLOMICS ID
FLIDWXNS0001
PubChem CID
442667

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 4
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 202.60
Topological Polar Surface Area 64.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.40
Molar Refractivity 69.31

Admin

Created at
-
Updated at
-