HMDB0300990 RDKit 3D Undeca-4,9-dienoyl-CoA 112114 0 0 0 0 0 0 0 0999 V2000 15.0777 0.1875 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7899 -1.2251 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2698 -2.0959 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9370 -1.6914 -1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4356 -1.8885 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0571 -1.4941 -2.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3307 -0.1026 -3.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4852 0.7942 -3.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0266 0.6374 -3.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2677 1.6602 -3.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5353 1.5084 -1.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1963 0.6212 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8319 2.7337 -0.5614 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2039 2.2651 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 0.9878 1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0073 1.2989 1.3644 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 0.3580 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 -0.7938 1.9935 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5679 0.7496 1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 -0.4004 1.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 -0.0037 1.6089 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1681 -0.8723 1.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -2.0490 2.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 -0.3980 1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2481 0.9273 1.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 -1.2835 0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -2.6970 1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 -1.3230 -0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -0.7315 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 -1.5498 -0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5489 -0.9654 -0.7709 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0914 -1.7277 -1.9689 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 0.6780 -1.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5733 -1.2086 0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9196 0.2309 1.3355 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.8144 0.0014 2.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8342 1.4200 0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4760 0.7818 1.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3970 0.2798 1.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7423 0.8209 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1540 0.4429 0.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4758 0.8705 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2114 0.1901 -0.7885 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8087 -1.0123 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3909 -1.2681 -1.9693 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1719 -0.2242 -2.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5538 0.0137 -4.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3053 -0.9424 -4.7958 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1662 1.1888 -4.6069 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4454 2.1006 -3.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0935 1.8364 -2.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4422 0.6805 -2.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0719 0.6399 1.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4286 1.8654 2.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8552 0.1559 2.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7641 -1.2081 2.2295 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6916 -2.0838 3.6521 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.5746 -3.0970 3.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4153 -0.9909 4.9118 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1381 -2.9292 3.8725 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9571 0.2675 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2811 0.7554 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1718 0.6274 0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0294 -1.5456 1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0830 -3.1033 0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4633 -2.3193 -2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2199 -0.6363 -1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8556 -1.3939 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3051 -3.0126 -1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6438 -2.1599 -3.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9928 -1.7476 -3.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4002 0.2216 -3.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9365 1.7980 -3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7760 0.7082 -5.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6507 -0.3533 -3.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4867 2.6994 -3.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1546 1.5329 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2820 2.0459 1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 3.0822 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 0.1599 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6825 0.7130 2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7131 2.2725 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 1.1098 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 1.5948 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8188 -0.7591 2.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 -1.2633 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 0.9723 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -0.4702 2.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 1.0526 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8776 -2.6976 2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 -3.2351 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -3.2461 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 -1.3520 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3687 -2.2677 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4088 -0.4336 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8724 -0.7007 1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2918 0.3153 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 0.9591 -1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5302 2.0039 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0341 0.6830 2.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3583 -0.8153 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8439 1.8937 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4493 1.9608 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8034 -1.6695 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8910 -1.8474 -5.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2814 -0.7249 -5.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1579 3.0436 -4.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8769 -0.1019 1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2391 1.8950 3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8714 0.4805 3.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4420 -1.0163 5.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9401 -2.3478 3.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 47 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 42 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 55 40 1 0 52 43 1 0 52 46 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 24 88 1 0 25 89 1 0 27 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 33 98 1 0 37 99 1 0 39100 1 0 39101 1 0 40102 1 0 42103 1 0 44104 1 0 48105 1 0 48106 1 0 50107 1 0 53108 1 0 54109 1 0 55110 1 0 59111 1 0 60112 1 0 M END