Structure Database (LMSD)

O
Common Name
cis-stilbene oxide
Systematic Name
Synonyms
LM ID
LMPK13090030
Formula
C14H12O
Exact Mass
Calculate m/z
196.088815
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

String Representations

InChiKey (Click to copy)
ARCJQKUWGAZPFX-OKILXGFUSA-N
InChi (Click to copy)
InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+
SMILES (Click to copy)
[C@H]1(C2=CC=CC=C2)O[C@H]1C1=CC=CC=C1

References

Other Databases

KEGG ID
C16014
HMDB ID
HMDB0059631
CHEBI ID
50004
PubChem CID
98511

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 184.83
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.50
Molar Refractivity 59.45

Admin

Created at
-
Updated at
-