Cytosporone B

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Systematic / IUPAC Name: Ethyl (3,5-dihydroxy-2-octanoylphenyl)acetate

ID: Reference5868

Other Names: Dothiorelone G;
Benzeneacetic acid, 3,5-dihydroxy-2-(1-oxooctyl)-, ethyl ester;
Ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate;
Csn-B

Formula: C18H26O5

Class: Endogenous Metabolites

Spectral Data

Cytosporone B 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/31/2016 12:54:20 PM
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Identificators

InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
InChI Key UVVWQQKSNZLUQA-UHFFFAOYSA-N
Canonical SMILES CCCCCCCC(=O)C1=C(C=C(C=C1CC(=O)OCC)O)O
CAS 321661625
Splash
Other Names Dothiorelone G;
Benzeneacetic acid, 3,5-dihydroxy-2-(1-oxooctyl)-, ethyl ester;
Ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate;
Csn-B

In Other Databases

ChEBI CHEBI:95039
PubChem 10687292
ChEMBL CHEMBL1221517
ChemSpider 8862638