HMDB0241102 RDKit 3D (2,7)-Decadienoylcarnitine 51 50 0 0 0 0 0 0 0 0999 V2000 -6.3194 1.9746 1.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3601 0.8922 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7685 1.3735 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7514 0.9287 -1.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8102 -0.1555 -1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8984 -1.0517 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7327 -2.0449 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 -1.3803 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -0.1332 0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 0.3672 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 1.5424 1.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -0.4629 0.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5598 -0.0391 0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 -0.8058 1.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 -0.6127 2.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3867 -1.3483 2.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6972 0.5073 3.1198 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1463 -0.2911 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 0.0022 -0.9607 N 0 0 0 0 0 4 0 0 0 0 0 0 4.4075 0.5359 -2.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3191 -1.1667 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 1.0208 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6959 1.6694 2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9742 2.9153 1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3428 2.1720 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4706 0.6534 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9463 0.0056 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3154 2.2851 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5051 1.5132 -2.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7572 0.1756 -1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9584 -0.8997 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7852 -0.4775 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8357 -1.6849 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -2.8265 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 -2.5819 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5115 -1.9762 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 0.5457 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 1.0181 0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 -0.4664 2.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 -1.8964 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -1.4091 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4081 0.1340 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9306 1.5272 -2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4373 0.6481 -2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 -0.1743 -2.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 -2.0822 -0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5732 -1.4023 -2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2763 -1.0540 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 1.8159 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 1.5887 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 0.6115 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 18 41 1 0 18 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 M CHG 2 17 -1 19 1 M END