75536014 CDK 1112211142 23 22 0 0 0 0 0 0 0 0999 V2000 5.9370 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -2.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 10 1 0 0 0 0 3 12 1 0 0 0 0 4 22 1 0 0 0 0 5 22 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 M END > CHEBI:183696 > (12Z)-9,10,11-trihydroxyoctadec-12-enoic acid > 2 > (Z)-9,10,11-trihydroxyoctadec-12-enoic acid > C18H34O5 > 330.465 > 330.24062 > 0 > OC(CCCCCCCC(O)=O)C(O)C(O)/C=C\CCCCC > InChI=1S/C18H34O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h9,12,15-16,18-20,23H,2-8,10-11,13-14H2,1H3,(H,21,22)/b12-9- > JHGVFGJXFVIYSM-XFXZXTDPSA-N $$$$