Zearalenone

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Systematic / IUPAC Name: (3S,11E)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

ID: Reference6166

Other Names: (-)-Zearalenone;
(S)-(-)-Zearalenone;
(S)-Zearalenone;
(10S)-Zearalenone;
trans-Zearalenone ; more

Formula: C18H22O5

Class: Natural Toxins

Spectral Data

Zearalenone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 4559
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/13/2016 2:26:09 PM
View Mass Spec Data > >

Identificators

InChI 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
InChI Key MBMQEIFVQACCCH-QBODLPLBSA-N
Canonical SMILES CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O
CAS 17924924
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Other Names (-)-Zearalenone;
(S)-(-)-Zearalenone;
(S)-Zearalenone;
(10S)-Zearalenone;
trans-Zearalenone;
Zenone;
(S-(E))-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione;
(S,E)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione;
(2E,11S)-15,17-Dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14), 2,15,17-tetraene-7,13-dione;
[S-(E)]-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione;
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S)-;
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-;
6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-β-resorcylic acid lactone

In Other Databases

KEGG C09981
ChEBI CHEBI:10106
PubChem 5281576
ChemSpider 4444897
ChEMBL CHEMBL454173
Wikipedia Zearalenone