Structure Database (LMSD)

Common Name
(-)-Glycinol
Systematic Name
3,6a,9-Trihydroxypterocarpan
Synonyms
LM ID
LMPK12070128
Formula
C15H12O5
Exact Mass
Calculate m/z
272.068475
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)
QMXOFBXZEKTJIK-LSDHHAIUSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC[C@@]3(O)C4C=CC(O)=CC=4O[C@@]3([H])C=2C=C1

Other Databases

KEGG ID
C01263
CHEBI ID
15649
METABOLOMICS ID
FLIDHXNS0003
PubChem CID
129648

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 224.93
Topological Polar Surface Area 83.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.10
Molar Refractivity 69.46

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Updated at
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