Structure Database (LMSD)

Common Name
Sterigmatocystin
Systematic Name
Synonyms
LM ID
LMPK10000001
Status
Active
Exact Mass
Calculate m/z
324.06339
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
UTSVPXMQSFGQTM-DCXZOGHSSA-N
InChi (Click to copy)
InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1
SMILES (Click to copy)
C12OC3=C(C(O)=CC=C3)C(=O)C=1C(=CC1O[C@@]3([H])OC=C[C@@]3([H])C2=1)OC

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 257.08
Topological Polar Surface Area 82.27
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.19
Molar Refractivity 86.21

Admin

Created at
-
Updated at
-