HMDB0286765 RDKit 3D PC(TXB2/18:3(9Z,12Z,15Z)) 140140 0 0 0 0 0 0 0 0999 V2000 3.4418 0.1857 1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9721 -0.8402 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 -0.1342 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 -0.0419 -1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 -0.6744 -2.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8502 0.2981 -3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 0.2598 -4.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 -0.7556 -5.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 -1.7557 -5.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -2.0101 -6.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 -1.2826 -5.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 -2.2893 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 -1.6556 -4.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 -2.5529 -3.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 -1.8089 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8551 -2.3465 -2.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6633 -2.4532 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6643 -3.2169 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9138 -4.4273 0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 -2.7657 0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 -3.5071 0.8009 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9854 -2.7768 2.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8978 -2.4342 2.9818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 -1.5254 2.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0701 -0.8916 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 -1.2628 4.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2572 -0.2541 4.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 1.1023 4.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 1.9392 5.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 2.4965 5.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3027 2.3229 4.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1197 3.6650 3.4860 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9805 3.4176 2.2841 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7470 2.0951 1.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 4.3748 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 4.2665 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 5.0280 -0.2386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5452 4.6982 1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9894 4.5938 3.2213 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4708 5.9817 3.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 6.2022 4.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 7.5629 5.1409 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1025 7.8500 6.4405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0416 7.5844 5.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 6.5928 6.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 6.5247 6.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7001 6.1160 4.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2188 6.0928 5.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2344 -3.9790 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 -4.8538 -0.9646 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 -5.4771 -1.6810 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8727 -5.9240 -0.6125 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -4.4165 -2.6955 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5313 -6.8888 -2.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 -7.0688 -2.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 -8.2842 -3.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7953 -8.3424 -4.8052 N 0 0 0 0 0 4 0 0 0 0 0 0 0.6084 -8.0864 -4.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 -9.7199 -5.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -7.4937 -5.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 1.1963 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 -0.0496 2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 0.0376 2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5434 -1.5972 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 -1.3591 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7084 0.3855 0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4934 0.5439 -2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0489 -1.4773 -2.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 -1.1184 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.1004 -2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 1.0355 -4.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0246 -0.1155 -5.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3365 -1.2261 -4.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4868 -2.4697 -6.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -2.9000 -6.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 -1.0473 -6.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5268 -0.4341 -4.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 -3.1380 -5.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -2.6340 -3.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4009 -1.4323 -5.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -0.7076 -3.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -2.8313 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 -3.4750 -4.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2886 -1.6926 -4.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5344 -0.7462 -2.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8237 -1.7480 -2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -3.3536 -2.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6076 -1.3845 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 -2.7245 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -4.4543 1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -3.3809 2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.8642 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9268 -2.2310 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8635 -0.9827 3.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2509 -0.5864 5.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 -0.0353 5.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0368 1.4893 4.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4501 0.9851 3.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9908 2.1197 6.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 3.1132 6.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 1.7698 3.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 1.7998 4.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 4.0790 4.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 3.5262 2.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 1.9298 0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2197 4.1374 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 5.3964 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 3.2072 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 5.2705 -0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8784 4.3882 3.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 6.7629 2.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 5.4369 5.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1038 8.3419 4.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7946 8.4046 6.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3398 7.3528 4.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 8.5975 5.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 5.5950 5.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 6.8907 7.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 5.7572 6.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 7.4729 6.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4746 6.9060 4.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 5.1304 4.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4085 5.6890 6.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5959 7.1327 5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 5.4737 4.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -3.0763 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -4.4297 0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 -7.1760 -1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2575 -6.1887 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8945 -9.2172 -2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 -8.3555 -3.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0018 -8.4901 -5.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 -8.5775 -4.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7842 -6.9943 -4.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 -10.3812 -4.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 -9.7174 -6.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0059 -10.0591 -4.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7024 -7.9660 -6.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 -6.5281 -5.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 -7.3684 -5.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 21 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 39 32 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 1 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 1 33104 1 1 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 39110 1 1 40111 1 0 41112 1 0 42113 1 6 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 53 -1 57 1 M END