HMDB0263724 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/18:1(11Z)) 125124 0 0 0 0 0 0 0 0999 V2000 -13.8932 -3.0436 2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4414 -2.9571 2.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0315 -1.4873 2.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9138 -0.6763 1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5047 0.7779 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3259 1.6414 0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8816 2.3550 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4640 2.4109 -0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4328 2.0307 -2.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8074 1.0846 -2.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9198 0.0665 -2.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6348 -0.0563 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4504 0.1258 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2376 0.4803 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1216 -0.5300 -0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 -0.7553 0.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1686 -0.4658 -2.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5414 -1.7574 -2.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0449 0.4887 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3366 1.9362 -1.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 2.7072 -2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 2.4231 -1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9415 3.0263 -1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 1.6020 0.0852 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 1.4258 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.7786 0.3334 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2797 -0.6006 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -1.2193 -0.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 -2.7655 -1.2599 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9730 -3.0191 -1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -3.9496 -0.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 -2.9632 -2.8841 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1782 0.7001 1.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3798 1.3770 1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4262 2.0296 0.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5429 1.3810 1.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 2.1871 1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 1.7035 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 0.3433 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 0.1699 0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 1.0783 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 0.9006 -0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0926 -0.4122 -1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3126 -0.9881 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 -1.2099 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0520 -0.6842 1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1515 0.1960 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4460 -0.3593 1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8342 -1.7078 1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0154 -1.8382 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0754 -0.9152 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4159 -1.1764 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1148 -4.0459 3.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5515 -2.8194 1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0906 -2.2954 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8525 -3.5012 2.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3264 -3.2809 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1228 -1.1771 3.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9654 -1.4520 2.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7163 -1.0570 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9663 -0.8379 1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4354 0.9222 1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7835 1.0564 2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4290 1.6814 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5678 2.9899 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1424 3.5196 -0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7938 1.9121 -0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0664 2.6905 -2.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9640 1.0142 -3.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9555 0.0561 -2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3672 -0.9608 -2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4320 -0.3640 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3094 0.0103 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4055 0.8281 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8546 1.4323 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7139 -1.5336 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0067 -0.0801 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7471 -0.4338 -3.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5409 -2.1168 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 0.1233 -1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4748 0.3531 -3.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7826 2.2296 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 2.2402 -2.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2711 3.8085 -1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5776 2.4708 -3.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7959 2.3737 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4119 0.7339 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 1.3759 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 -0.4478 -0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 -1.1766 0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1308 -4.2199 -0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4609 -2.1023 -3.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 0.3174 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2855 1.8747 2.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 2.4119 2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2133 3.2134 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 2.4371 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 1.7740 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 -0.4390 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 0.1308 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6652 0.4764 2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 -0.8841 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7218 2.1354 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8585 1.0064 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3657 1.6966 -0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7502 1.1899 -1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2677 -1.1743 -1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3427 -0.3251 -2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2389 -0.4864 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4092 -2.0290 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4077 -1.8879 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9068 -0.9165 2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9899 1.1433 2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1917 0.5930 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2816 0.3794 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3120 -0.4923 3.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7181 -2.1229 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0008 -2.4181 1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1027 -1.8097 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4419 -2.8808 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7519 0.1465 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1335 -1.1790 -1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5989 -0.5803 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2087 -0.8805 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5094 -2.2296 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 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 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 2 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 0 25 87 1 0 26 88 1 6 27 89 1 0 27 90 1 0 31 91 1 0 32 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 52125 1 0 M END