Mrv0541 06301416332D 32 34 0 0 1 0 999 V2000 17.1910 -11.8015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1910 -12.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4766 -11.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4766 -13.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7621 -11.8015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7621 -12.6265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0478 -11.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0453 -13.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9078 -13.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9078 -11.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6212 -9.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6212 -10.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9066 -8.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9066 -10.5691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1923 -9.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1923 -10.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3340 -8.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0470 -9.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7629 -8.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4774 -9.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7629 -8.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3050 -12.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5637 -13.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3120 -11.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4677 -13.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7883 -12.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6330 -14.0400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2131 -13.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5317 -11.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6998 -11.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3812 -13.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1245 -12.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 5 7 1 6 0 0 0 6 8 1 1 0 0 0 2 9 1 6 0 0 0 1 10 1 1 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 1 0 0 0 0 14 10 1 1 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 25 23 2 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 29 26 1 0 0 0 0 28 26 2 0 0 0 0 30 29 2 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 32 31 2 0 0 0 0 M END > CHEBI:79029 > icas#10 > A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (8R)-8-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. > 3 > IC-asc-C9; 8R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonanoic acid > (8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}nonanoic acid > C24H33NO7 > 447.52130 > 447.22570 > 0 > C[C@H](CCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 > InChI=1S/C24H33NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h7-8,10-11,14-16,20-21,24-26H,3-6,9,12-13H2,1-2H3,(H,27,28)/t15-,16+,20-,21-,24-/m1/s1 > VGNCAEIQHDZOLI-JTCUFRKPSA-N > 1355681-30-9 > 22233455 > LMFA13040125 > icas%2310%0D > 22239548; 22253572; 22662967; 29863473 $$$$