Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00004688302 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004688303 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004688304 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708785 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708786 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708787 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708788 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708789 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708790 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708791 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708792 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708793 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708794 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708795 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708796 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708797 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708798 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004708799 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00004688301 | Bronze | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic&acid |
CCMSLIB00005727761 | Gold | 3 |
CCMSLIB00005727933 | Gold | 3 |
CCMSLIB00005727170 | Gold | 3 |
CCMSLIB00005727944 | Gold | 3 |
CCMSLIB00005727080 | Gold | 3 |
CCMSLIB00005727116 | Gold | 3 |
CCMSLIB00005727154 | Gold | 3 |
CCMSLIB00005727214 | Gold | 3 |
CCMSLIB00005727397 | Gold | 3 |
CCMSLIB00005774466 | Gold | 3 |
CCMSLIB00005774447 | Gold | 3 |
CCMSLIB00005775267 | Gold | 3 |
CCMSLIB00005776666 | Gold | 3 |
CCMSLIB00005775284 | Gold | 3 |
CCMSLIB00000846519 | Gold | 1!CCMSLIB00000846521 |
CCMSLIB00003135363 | Gold | 3 |
CCMSLIB00003139955 | Gold | 3 |
CCMSLIB00012113086 | Gold | 4 |
CCMSLIB00009952883 | Gold | 4 |
CCMSLIB00012113087 | Gold | 4 |
CCMSLIB00009952884 | Gold | 4 |
CCMSLIB00010114305 | Gold | 3 |
CCMSLIB00010114306 | Gold | 3 |
CCMSLIB00010125630 | Gold | 3 |
CCMSLIB00010125631 | Gold | 3 |
COMPOUND NPA006013
PROPERTIES
NPAID | NPA006013 |
---|---|
CLUSTER ID | 490 |
NODE ID | 440 |
NAME | Fumonisin B2 |
FORMULA | C34H59NO14 |
MOLECULAR WEIGHT (Da) | 705.8390 |
ACCURATE MASS (Da) | 705.3936 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Fusarium |
ORIGIN SPECIES | moniliforme |
InChIKey | UXDPXZQHTDAXOZ-STOIETHLSA-N |
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 |
SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Bezuidenhout, S. Catherine; Gelderblom, Wentzel C. A.; Gorst-Allman, Charles P.; Horak, R. Marthinus; Marasas, Walter F. O.; Spiteller, Gerhard; Vleggaar, Robert Structure elucidation of the fumonisins, mycotoxins from Fusarium moniliforme. Journal of the Chemical Society, Chemical Communications 1988 (11) 743. | ||
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DOI | 10.1039/c39880000743 | PMID | - |