HMDB0241109 RDKit 3D (2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 -5.9369 -0.0673 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3063 -0.1854 0.0277 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.7284 -1.4272 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9112 0.8736 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 0.0209 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 0.0303 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -1.3137 1.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2823 -2.3113 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2109 -3.5123 1.1703 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.9671 -0.4191 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.6662 0.3120 0.6111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 1.3604 1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 2.0876 1.9961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 1.5906 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 0.8162 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 1.0304 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 1.2317 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 1.4898 -1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6592 0.2376 -1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 0.4807 -1.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0794 0.4163 -1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1523 0.1011 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9568 -1.0576 0.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5012 -0.8340 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8135 0.9548 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0106 -0.2868 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -1.2961 1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7360 -1.6843 0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1024 -2.2874 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8003 1.8737 0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4558 0.8299 1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9778 0.6256 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5582 -0.6638 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 1.0469 -0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 0.7962 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7675 -1.6571 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 -1.1274 2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 2.4088 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3946 -0.0014 -0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2966 2.3117 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 1.7350 -2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 -0.6068 -1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6554 -0.0826 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1321 0.7351 -2.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0485 0.6257 -1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6746 0.9427 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1973 -0.0164 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9020 -0.8387 0.3489 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 3 15 16 1 0 16 17 3 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 3 21 22 1 0 22 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 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 7 37 1 0 14 38 1 0 15 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 M CHG 2 2 1 10 -1 M END