HMDB0300957 RDKit 3D Undec-9-enoyl-CoA 114116 0 0 0 0 0 0 0 0999 V2000 17.0943 -0.5937 1.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7696 -0.3868 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7313 -0.1484 1.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3560 0.0659 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3985 0.1012 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0724 0.0814 -0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1572 1.2157 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9222 1.0594 -1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2474 -0.2495 -1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8363 -0.6040 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 0.4082 0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7834 1.5049 0.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9642 0.2107 2.2626 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 -1.0415 1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2376 -0.5252 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 -0.7922 -0.4989 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 -1.1624 -1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2761 -2.2259 -1.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 0.0936 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3709 0.2878 -1.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 0.4842 -0.6243 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -0.6444 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 -1.6464 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 -0.4652 1.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 0.5925 2.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 -0.1222 0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 -0.1163 1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5428 1.4260 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -0.8133 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 -0.6643 -0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5668 -1.1593 -2.2736 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4784 -2.6155 -2.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -0.2752 -3.5366 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2446 -0.6575 -2.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 0.9442 -1.6717 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0808 1.7120 -2.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 1.6538 -1.7195 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9149 1.0861 -0.1567 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7612 -0.0527 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1652 0.4017 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9405 -0.7270 -0.3932 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2346 -0.3632 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2079 -1.3164 -0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5830 -2.3395 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6918 -2.8878 0.1229 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0917 -2.2866 -1.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1174 -2.4382 -1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2500 -3.2980 -1.4375 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2229 -1.6676 -2.9133 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3318 -0.6834 -3.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3095 -0.5387 -2.3422 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1412 -1.3066 -1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9429 -0.0569 1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0018 0.5384 2.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7587 0.9536 1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3979 2.1703 0.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0481 2.9583 2.1919 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.5673 3.1306 1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8159 2.1589 3.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4058 4.5113 2.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8346 -1.1454 2.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8149 -1.0366 1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4617 0.4348 2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8046 -0.4536 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8328 -0.1920 2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5643 -0.5438 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0950 1.1323 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7940 1.1552 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0119 -0.6314 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5718 -0.9285 -0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2459 0.1264 -1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6211 2.1555 -0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9153 1.2510 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3033 1.9511 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3599 1.0769 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8587 -1.0581 -1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3094 -0.2261 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3481 -1.6127 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7190 -0.7388 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7886 -0.8818 2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9764 -2.0189 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8357 0.6460 0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 -0.0270 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7605 -2.1749 -0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1477 0.2462 -3.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 0.9868 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8425 -0.7105 -2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 1.1298 -2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6079 1.3804 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -1.5144 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 0.4412 3.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7271 -0.2501 1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9677 0.9220 2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 -0.8506 2.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 1.8151 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 1.8958 1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 1.5125 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -0.1313 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 -1.7986 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -0.8207 -3.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5514 2.4391 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5005 -0.5164 0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5345 -0.7467 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2521 1.1206 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4726 0.6821 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0019 -2.5815 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6595 -3.0058 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6188 -4.0099 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4190 -0.0229 -4.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5170 -0.9573 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5010 -0.1891 2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1627 0.9746 2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6318 2.3390 4.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9119 5.0808 1.7153 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 1 0 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 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 24 90 1 0 25 91 1 0 27 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 33100 1 0 37101 1 0 39102 1 0 39103 1 0 40104 1 0 42105 1 0 44106 1 0 48107 1 0 48108 1 0 50109 1 0 53110 1 0 54111 1 0 55112 1 0 59113 1 0 60114 1 0 M END