Mrv0541 07231416002D 37 39 0 0 1 0 999 V2000 13.1632 -17.6439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1632 -18.4688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4488 -17.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4488 -18.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7345 -17.6439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7345 -18.4688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0199 -17.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0176 -18.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8801 -18.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8801 -17.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5901 -15.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8757 -14.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8757 -16.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1612 -15.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1612 -16.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3028 -14.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0157 -15.1821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4469 -14.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7324 -15.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4469 -16.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7324 -16.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7292 -14.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4443 -15.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1578 -14.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4463 -16.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0168 -16.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2773 -18.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5360 -18.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2843 -17.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4400 -19.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7607 -18.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6053 -19.8824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1854 -19.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -17.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6721 -17.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3536 -18.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0969 -18.1449 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 12 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 21 20 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 13 10 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 17 26 1 6 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 30 28 2 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 33 31 2 0 0 0 0 35 34 2 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 37 36 2 0 0 0 0 M END > CHEBI:79374 > ibho#22 > An ω-hydroxy fatty acid ascaroside that is bhos#22 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. > 3 > 3R-hydroxy-13-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-tridecanoic acid > (3R)-13-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxytridecanoic acid > C28H41NO8 > 519.62700 > 519.28322 > 0 > C[C@@H]1O[C@@H](OCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 > InChI=1S/C28H41NO8/c1-19-25(37-27(34)22-18-29-23-14-10-9-13-21(22)23)17-24(31)28(36-19)35-15-11-7-5-3-2-4-6-8-12-20(30)16-26(32)33/h9-10,13-14,18-20,24-25,28-31H,2-8,11-12,15-17H2,1H3,(H,32,33)/t19-,20+,24+,25+,28+/m0/s1 > FUIIPNLIVZGYJM-RHENGWIESA-N > 1355683-45-2 > 22233520 > ibho%2322 > 22239548 $$$$