Obscurolide A1

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Systematic / IUPAC Name: 4-({2-[(1E)-3-Hydroxy-1-buten-1-yl]-5-oxotetrahydro-3-furanyl}amino)benzoic acid

ID: Reference6513

Other Names: 4-({2-[(E)-3-Hydroxybut-1-enyl]-5-oxooxolan-3-yl}amino)benzoic acid ;
Benzoic acid, 4-{[tetrahydro-2-(3-hydroxy-1-butenyl)-5-oxo-3-furanyl]amino}- ;
Benzoic acid, 4-({tetrahydro-2-[(1E)-3-hydroxy-1-buten-1-yl]-5-oxo-3-furanyl}amino)-

Formula: C15H17NO5

Class: Endogenous Metabolites

Spectral Data

Obscurolide A1 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; Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2038
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 3/27/2017 7:52:24 AM
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Identificators

InChI InChI=1S/C15H17NO5/c1-9(17)2-7-13-12(8-14(18)21-13)16-11-5-3-10(4-6-11)15(19)20/h2-7,9,12-13,16-17H,8H2,1H3,(H,19,20)/b7-2+
InChI Key IZSWILLJDXDGDJ-FARCUNLSSA-N
Canonical SMILES CC(C=CC1C(CC(=O)O1)NC2=CC=C(C=C2)C(=O)O)O
CAS 144397999
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Other Names 4-({2-[(E)-3-Hydroxybut-1-enyl]-5-oxooxolan-3-yl}amino)benzoic acid ;
Benzoic acid, 4-{[tetrahydro-2-(3-hydroxy-1-butenyl)-5-oxo-3-furanyl]amino}- ;
Benzoic acid, 4-({tetrahydro-2-[(1E)-3-hydroxy-1-buten-1-yl]-5-oxo-3-furanyl}amino)-

In Other Databases

PubChem 6438770
ChemIDPlus 144397999
ChemSpider 4943221