Fumonisin B2

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Systematic / IUPAC Name: (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-Amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

ID: Reference1809

Other Names: (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-Amino-6-[(3R)-3-carboxy-5-hydroxy-5-oxopentanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid;
Fumonisin B2

Formula: C34H59NO14

Class: Natural Toxins

Spectral Data

Fumonisin B2 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 2
No. of Spectra 146
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 1:48:09 PM
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Identificators

InChI InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1
InChI Key UXDPXZQHTDAXOZ-STOIETHLSA-N
Canonical SMILES CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
CAS 116355841
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Other Names (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-Amino-6-[(3R)-3-carboxy-5-hydroxy-5-oxopentanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid;
Fumonisin B2

In Other Databases

ChEBI CHEBI:38225
KEGG C19242
ChEMBL CHEMBL1700939
PubChem 2733489
Wikipedia Fumonisin B2
ChemSpider 24603404