HMDB0008196 RDKit 3D PC(18:3(9Z,12Z,15Z)/14:0) 124123 0 0 0 0 0 0 0 0999 V2000 3.5407 6.0067 -4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7099 5.0860 -4.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6001 4.7075 -2.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 3.4954 -2.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4531 2.3353 -3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 1.5079 -2.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5535 0.2781 -2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2818 -0.4787 -2.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4448 -1.6794 -3.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 -2.9233 -2.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 -3.2506 -1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9469 -4.1247 -1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 -4.4527 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -5.1681 0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 -5.4960 2.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 -6.4411 2.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 -6.2724 2.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -4.9410 2.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1942 -4.0101 3.3296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 -4.7369 2.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -3.5949 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 -2.4824 2.2115 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5579 -3.0871 0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 -3.5119 0.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9877 -4.1145 -0.9539 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8946 -5.2919 -1.0591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4303 -4.4618 -1.5153 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5627 -2.8365 -1.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3536 -2.0213 -1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -0.8580 -1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7298 -1.1963 -3.0544 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.0325 -1.7000 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9528 0.0526 -3.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0937 -2.1194 -3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -2.0998 2.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 -0.7651 2.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 0.0595 2.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 -0.2775 2.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 1.1851 1.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 1.3571 0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 2.8598 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 3.0962 -1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8305 4.5679 -1.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 5.4193 -0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 5.0603 -0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 5.9339 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 5.8457 1.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2184 4.4582 2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 4.3989 3.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7741 5.3430 4.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 5.3477 -4.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 6.5931 -5.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 6.6530 -3.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 4.3533 -4.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 5.8194 -4.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 5.5520 -1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 3.3218 -1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 2.6469 -4.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5021 1.8172 -3.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6006 2.0054 -2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -0.2469 -2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 0.0967 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 -0.6859 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5949 -1.4673 -4.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -3.7012 -3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 -3.8521 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -2.3728 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -5.0678 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0877 -3.5833 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 -5.0759 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -3.5056 0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -4.5493 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 -6.1414 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -4.5292 3.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4951 -5.9451 2.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 -7.4583 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 -6.5829 3.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3986 -7.0123 3.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 -6.4882 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -3.8257 3.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3365 -3.1834 4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 -1.6058 2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 -2.2889 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7828 -3.8709 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1881 -2.6335 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8007 -1.6196 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4955 -0.1965 -1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -0.2352 -2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9517 -2.4083 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7085 -0.8600 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5391 -2.2238 -3.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9893 0.4280 -3.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2612 0.8463 -3.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7898 -0.1050 -4.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4797 -1.9669 -5.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2882 -3.1789 -3.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9999 -1.8928 -4.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 -0.7898 1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 -0.4164 3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 1.7995 2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8185 1.5587 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2147 0.9657 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 0.8135 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 3.3434 0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 3.1491 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 2.7029 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 2.5696 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 4.8973 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 4.7614 -2.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0665 6.4660 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3199 5.4715 0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7748 5.2449 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6678 3.9779 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 5.6367 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 6.9834 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9723 6.1700 1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 6.5446 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 3.6777 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3028 4.1562 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 4.6083 3.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 3.3706 3.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 5.0045 4.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 6.3917 4.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5469 5.1361 5.4000 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 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 1 23 83 1 0 23 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 32 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M CHG 2 27 -1 31 1 M END