Alternariol

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Systematic / IUPAC Name: 1-[2,3-Dideoxy-3-(1,2-triazadien-2-ium-1-yl)pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione

ID: Reference1896

Other Names: AOH;
3,4,4'-Trihydroxy-6'-methyl-2-biphenylcarboxylic acid γ-lactone;
3,4,4'-Trihydroxy-6'-methyl-2-biphenylcarboxylic acid, γ lactone;
3,4',5-Trihydroxy-6'-methyldibenzo-α-pyrone;
3,7,9-Trihydroxy-1-methyl-6H-benzo[c]chromen-6-one ; more

Formula: C14H10O5

Class: Natural Toxins

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 410
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/16/2016 11:06:09 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
InChI Key CEBXXEKPIIDJHL-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=CC2=C1C3=CC(=CC(=C3C(=O)O2)O)O)O
CAS 641383
Splash
Other Names AOH;
3,4,4'-Trihydroxy-6'-methyl-2-biphenylcarboxylic acid γ-lactone;
3,4,4'-Trihydroxy-6'-methyl-2-biphenylcarboxylic acid, γ lactone;
3,4',5-Trihydroxy-6'-methyldibenzo-α-pyrone;
3,7,9-Trihydroxy-1-methyl-6H-benzo[c]chromen-6-one;
3,7,9-Trihydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one;
3,7,9-Trihydroxy-1-methylbenzo[c]chromen-6-one;
6H-Dibenzo[b,d]pyran-6-one, 1-methyl-3,7,9-trihydroxy- ;
6H-Dibenzo[b,d]pyran-6-one, 3,7,9-trihydroxy-1-methyl-

In Other Databases

ChemSpider 4514301
Wikipedia Alternariol (DE); Alternariol
PubChem 5359485
ChemIDPlus 000641383
HMDb HMDB30831
ChEMBL CHEMBL519982
ChEBI CHEBI:64983
KEGG C16838