Structure Database (LMSD)

Common Name
Zearalenone
Systematic Name
Synonyms
LM ID
LMPK04000016
Formula
C18H22O5
Exact Mass
Calculate m/z
318.146725
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

String Representations

InChiKey (Click to copy)
MBMQEIFVQACCCH-QBODLPLBSA-N
InChi (Click to copy)
InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
SMILES (Click to copy)
C12C=CCCCC(CCC[C@H](C)OC(=O)C1=C(O)C=C(O)C=2)=O

Other Databases

Wikipedia
Zearalenone
KEGG ID
C09981
CHEBI ID
10106
PubChem CID
5281576
Cayman ID
11353
PDB ID
ZER

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 1
Rotatable Bonds 0
Van der Waals Molecular Volume 312.45
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.87
Molar Refractivity 86.90

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Created at
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Updated at
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