HMDB0005049 RDKit 3D 10-Nitrolinoleic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -8.1026 -0.5261 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4073 -0.1620 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -0.8548 -0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1448 -0.4784 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -1.1866 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -0.7910 1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8277 -0.1734 1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 0.1840 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.5023 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 0.1019 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 1.5481 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 2.2401 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4982 1.7653 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 1.9725 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 1.6009 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0697 0.1955 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6925 -0.5628 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 -1.9477 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0109 -2.2843 -0.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0615 -2.7946 1.2389 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -1.9486 -0.1211 N 0 0 0 0 0 4 0 0 0 0 0 0 0.0478 -2.4704 0.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1838 -2.6596 -1.2954 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.9202 -1.6126 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6896 0.0793 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1865 -0.3979 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0674 -0.4356 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2205 0.9459 -0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2754 -1.9416 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6036 -0.6031 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9793 0.6122 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 -0.7941 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4147 -1.1759 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 -2.2878 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 -1.0519 2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 0.0955 2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 0.0611 -0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1717 1.3151 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 -0.5324 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7621 1.6858 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2697 2.0875 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 2.0902 1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 3.3335 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 2.5636 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 0.8328 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6585 1.4254 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 3.0900 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2834 2.2251 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0146 2.0151 -2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.1176 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 -0.3182 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5761 -0.7983 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -0.0093 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8005 -2.8831 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 9 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 M CHG 2 21 1 23 -1 M END