HMDB0033805 RDKit 3D Azaspiracid 131139 0 0 0 0 0 0 0 0999 V2000 -2.2022 -2.2519 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8722 -1.4399 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2146 -1.8505 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3884 -0.9888 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4123 -0.8348 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0797 0.3704 -1.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3229 0.9789 -2.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3773 1.4441 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3855 0.9839 0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3313 0.1491 1.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6762 0.2999 1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6791 0.8087 0.3235 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6268 -0.2042 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7979 -1.4797 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6444 -1.1653 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4981 -1.7905 0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4007 -0.2828 1.4073 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6023 -1.0642 1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5122 -0.5002 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8075 -0.0007 0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8026 0.6037 -0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4612 0.0743 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6534 -1.1573 -1.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0966 -0.2541 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7562 -0.5986 0.7347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1263 0.4654 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1421 1.2940 1.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 -0.1627 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3511 -0.9311 2.2501 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 0.7752 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -0.0264 1.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9447 0.7243 0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3799 -0.0445 -0.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 0.4809 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0895 -0.2160 -1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1966 -1.1228 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 -0.8466 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7673 -2.0293 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8304 -3.0038 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1138 -2.8153 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5071 -1.5601 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8440 -1.0614 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9548 -1.4866 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3275 -1.0760 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3821 -0.0639 1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7165 1.1998 1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2337 1.3887 0.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5793 2.2638 2.1139 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6086 -0.5473 0.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5341 0.2467 0.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.9656 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 2.5213 -1.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 2.3190 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 1.9712 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9123 1.6243 0.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0126 1.2558 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 0.4875 -1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 1.6804 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4457 1.0509 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8265 2.0667 1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 -2.0111 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 -3.1313 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1993 -1.9443 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 -2.9207 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3656 -0.8687 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8696 -1.7785 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0740 0.0532 -2.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 0.1603 -3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 1.5973 -2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9796 1.6258 -3.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6101 2.2562 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 1.9510 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2896 1.8834 1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9755 0.6204 2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3562 -2.3737 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5031 -1.5646 -0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9969 -1.6060 1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8244 -0.7175 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3851 -2.1195 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1364 -1.0565 2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8098 -1.2694 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0692 -0.7381 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6202 0.0267 0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6740 0.9682 1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5716 1.4009 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3608 0.9934 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0305 0.8634 -1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9283 -1.1697 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7172 -2.0887 -1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6688 -1.0386 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -0.2033 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5286 0.8170 2.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 -0.8885 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -0.2665 3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 1.4250 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -1.0438 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -0.0875 2.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 0.9573 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2562 -0.8232 -2.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5087 0.4574 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 -0.8991 -1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9355 -2.1710 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3276 -1.6706 1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9805 -2.5403 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5427 -3.9092 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8834 -3.5439 1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6256 -1.8209 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8831 -0.3616 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8095 -2.2109 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7822 -0.6285 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8928 -2.0080 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4557 0.1566 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8864 -0.4114 2.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8158 2.9280 2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 2.4638 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2548 2.1932 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7713 2.3253 -2.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1748 3.6436 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 3.4241 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 1.8773 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 2.7801 1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6491 2.1919 -0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 -0.5879 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1606 0.6403 -2.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5201 0.8617 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 2.7919 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 1.5087 -1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 0.9646 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 1.6139 2.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8577 2.4550 1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 2.9589 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 13 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 2 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 41 49 1 0 37 50 1 0 34 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 26 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 10 4 1 0 15 11 1 0 59 24 1 0 16 4 1 0 55 30 1 0 22 13 1 0 54 32 1 0 50 34 1 0 49 37 1 0 1 61 1 0 1 62 1 0 3 63 1 0 3 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 11 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 23 90 1 0 24 91 1 0 27 92 1 0 28 93 1 0 29 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 38103 1 0 38104 1 0 39105 1 0 40106 1 0 41107 1 0 42108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 48114 1 0 51115 1 0 52116 1 0 52117 1 0 52118 1 0 53119 1 0 53120 1 0 54121 1 0 56122 1 0 57123 1 0 57124 1 0 57125 1 0 58126 1 0 58127 1 0 59128 1 0 60129 1 0 60130 1 0 60131 1 0 M END