HMDB0267297 RDKit 3D PA(a-25:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 147147 0 0 0 0 0 0 0 0999 V2000 -22.2195 -0.9602 1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.2059 0.1644 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.9850 -0.1065 1.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7579 -0.2151 1.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4336 -0.0738 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4952 1.0671 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1868 1.1755 -1.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1422 1.0214 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2489 -0.1838 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0875 -0.9724 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9769 -1.2021 0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6713 -0.6587 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6647 -1.7080 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5359 -1.7450 0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2128 -0.7435 1.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0103 0.0241 1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8937 0.1546 2.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6520 -0.4480 3.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5544 -1.3721 3.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7088 -1.8333 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6487 -1.5464 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3533 -0.7859 1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2532 -0.5017 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9284 -1.1507 -1.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 0.4956 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 0.7970 -2.1216 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9046 0.9828 -2.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 -0.0828 -2.3907 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 -0.6593 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 -0.1710 -0.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 -1.8001 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 -2.0968 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -0.9495 0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -0.4320 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -1.4729 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -0.9732 -0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 0.1976 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7016 0.7876 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8662 -0.1033 -1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5278 -0.6333 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -1.5245 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6659 -0.7844 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2589 0.3942 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9951 -0.0087 0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6063 1.0992 1.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5576 2.0157 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8314 1.5716 0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7356 0.6892 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1074 0.3201 -1.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8997 -0.3954 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2684 -0.8174 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0867 0.3626 -1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0088 -1.4942 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1880 -0.5675 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1032 2.1089 -2.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 2.3710 -3.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 3.7730 -4.1838 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.1749 3.4726 -4.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9235 4.5833 -5.3973 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9051 4.8497 -2.8727 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.2179 -0.6340 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.2991 -1.2684 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.8649 -1.8341 0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.0919 0.4515 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.6918 1.0567 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0563 -0.2396 2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9377 -0.4219 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3433 0.0758 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0155 -1.0491 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8936 2.0247 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5725 1.9988 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3010 0.1083 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7334 -0.8226 -1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9904 -1.4423 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9628 -1.8191 1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7564 -0.1158 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3992 0.0787 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9136 -2.4576 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7957 -2.5148 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9566 -0.0308 2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9260 -1.4067 2.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0346 0.5544 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0755 0.7901 1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5067 0.4760 4.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5663 -0.8932 4.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4406 -1.7287 4.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9242 -2.5322 3.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5121 -1.2044 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4373 -2.5813 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5253 -1.4850 1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 0.0927 1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 0.0368 -2.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 1.1818 -3.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4568 1.9581 -2.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -1.5947 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2026 -2.7425 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3293 -3.0472 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 -2.2580 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7967 -0.1604 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 -1.3774 1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0575 0.4354 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4389 -0.0232 -0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 -1.6825 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3832 -2.4233 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5624 -0.7420 -1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -1.8358 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 1.0191 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7541 0.0142 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0581 1.6428 -0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4239 1.2466 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6435 0.5352 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6735 -0.9389 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 -1.2765 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8908 0.1743 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3219 -2.3950 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 -1.9886 0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5508 -1.4569 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2517 -0.5208 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8973 0.9816 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 1.1061 -0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1699 -0.4139 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6238 -0.8868 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1175 0.6269 2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7725 1.7221 2.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8258 2.7872 1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0433 2.7006 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5359 2.4305 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3682 0.9881 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1544 -0.2333 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2472 1.2594 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5558 1.2858 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9086 -0.2720 -2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0432 0.1933 0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3694 -1.3243 0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1901 -1.5519 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9594 0.5838 -2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9124 1.2622 -0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1586 0.0752 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4495 -2.3821 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9821 -1.7990 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2672 -0.5763 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9745 0.4962 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5982 -0.8649 2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1467 1.9862 -2.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 2.9211 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 5.1224 -5.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8056 5.2387 -2.8604 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 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 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 26 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 8 6 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 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 52136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 59146 1 0 60147 1 0 M END