Mrv0541 07101415282D 33 35 0 0 1 0 999 V2000 6.6245 -28.5124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6245 -29.3372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9100 -28.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 -29.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 -28.5124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1957 -29.3372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4812 -28.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 -29.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3413 -29.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3413 -28.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 -29.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 -29.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 -28.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 -30.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 -29.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 -30.7508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 -30.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9653 -28.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 -28.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8148 -29.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5581 -29.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 -27.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6308 -26.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6311 -26.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0599 -26.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3456 -25.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9163 -27.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -26.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -25.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 -26.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7746 -25.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7763 -24.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4885 -26.0471 0.0000 O 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 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 14 12 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 17 15 2 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 10 22 1 0 0 0 0 23 22 1 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 27 23 1 0 0 0 0 28 27 1 0 0 0 0 29 24 1 0 0 0 0 30 28 1 0 0 0 0 30 29 1 0 0 0 0 25 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > CHEBI:79118 > icos#15 > A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-10-hydroxydec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. > 3 > 10-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-decenoic acid > (2E)-10-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}dec-2-enoic acid > C25H33NO7 > 459.53200 > 459.22570 > 0 > C[C@@H]1O[C@@H](OCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 > InChI=1S/C25H33NO7/c1-17-22(33-24(30)19-16-26-20-12-9-8-11-18(19)20)15-21(27)25(32-17)31-14-10-6-4-2-3-5-7-13-23(28)29/h7-9,11-13,16-17,21-22,25-27H,2-6,10,14-15H2,1H3,(H,28,29)/b13-7+/t17-,21+,22+,25+/m0/s1 > SCZSSSOEHFCMKR-ONIXZVGUSA-N > 1355683-13-4 > 22233472 > icos%2315%0D > 22239548 $$$$