Mrv1652309082207012D 23 22 0 0 0 0 999 V2000 -3.1959 3.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6558 3.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 3.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2254 1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8547 2.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 3.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 2.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 3.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 4.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 4.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 3.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9054 3.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 3.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2556 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0658 3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 2.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M END > NP0262293 > NP-MRD > CCCCCC(O)C(O)\C=C/C(O)CCCCCCCC(O)=O > InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13- > MDIUMSLCYIJBQC-YPKPFQOOSA-N > C18H34O5 > 330.465 > 330.240624195 > 5 > 57 > 38.5293572504813 > 1 > 4 > 0 > 1 > (10Z)-9,12,13-trihydroxyoctadec-10-enoic acid > 3.24727271 > 0 > 0 > -1 > 13.636226243564447 > 4.6767451828624695 > -2.8471921473040265 > 97.99 > 91.79469999999999 > 15 > 1 > (10Z)-9,12,13-trihydroxyoctadec-10-enoic acid > 0 > NP0262293 > (10z)-9,12,13-trihydroxyoctadec-10-enoic acid $$$$