HMDB0062187 RDKit 3D 1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether 34 35 0 0 0 0 0 0 0 0999 V2000 -2.8330 -1.3999 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 -0.4250 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1799 -0.2051 -1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 -0.9691 -0.6234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 -0.5830 0.4651 B 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -0.5461 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 0.5198 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 0.5826 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2298 -0.4591 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -0.4759 -0.2575 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -1.5602 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 -1.6047 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 0.3677 1.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7753 0.8508 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 1.6338 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 1.6728 1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 -2.4274 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 -1.5001 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -1.1157 1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 0.2107 -0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3017 -1.1779 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 0.5006 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7183 1.3597 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 1.4319 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2362 0.0977 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0951 -1.0396 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0199 -2.3889 -0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -2.4627 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 2.3315 -0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 0.8718 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6481 2.0981 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5759 1.1130 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3028 2.3063 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3446 2.3916 1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 5 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 2 1 0 12 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 7 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 15 29 1 0 15 30 1 0 15 31 1 0 16 32 1 0 16 33 1 0 16 34 1 0 M END