HMDB0285993 RDKit 3D PC(16:0/20:3(6,8,11)-OH(5)) 137136 0 0 0 0 0 0 0 0999 V2000 0.3917 -8.8621 -2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 -8.7450 -3.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 -8.4869 -3.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2093 -7.2237 -3.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8971 -6.9611 -1.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 -5.6306 -1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 -5.2448 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8947 -5.0472 0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 -4.6699 1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 -3.5190 2.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 -3.1937 3.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 -2.9816 4.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6699 -1.8483 4.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 -1.6420 5.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4318 -0.5024 5.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 -0.1784 5.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6947 -1.2197 5.8704 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 1.0160 5.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 0.8061 3.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 -0.2967 3.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1257 -0.4185 1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8753 -1.2779 1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 0.3429 0.9061 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 0.2586 -0.4917 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6756 1.5609 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 2.6285 -0.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9442 3.9252 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 4.2059 -2.0697 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 4.9812 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 4.7963 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 5.9260 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 5.7688 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 4.4765 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 4.4498 -0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 3.1907 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7931 3.2642 -0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6356 2.0760 -0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7222 1.9519 0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5783 0.7474 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7148 0.5600 2.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4093 0.3537 3.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6957 0.1734 4.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -0.0357 5.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 -0.1374 -0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 0.8199 -0.5779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 0.3888 -1.1751 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4450 -1.0683 -1.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 0.6219 -0.0065 O 0 0 0 0 0 1 0 0 0 0 0 0 1.1541 1.3088 -2.5437 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 1.0524 -3.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 2.0192 -4.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.9112 -5.2846 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.6162 2.1042 -6.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0549 3.0082 -5.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8224 0.6821 -5.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0493 -8.0091 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 -9.7635 -2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 -9.0535 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -7.9032 -4.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 -9.6840 -4.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 -9.3662 -3.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -8.5088 -4.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 -7.2155 -3.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -6.3475 -3.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 -7.7348 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 -6.7883 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2854 -4.8410 -2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 -5.8188 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -6.0713 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 -4.3095 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -5.9877 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 -4.2624 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -5.3429 2.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -2.8195 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 -2.3061 3.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5329 -4.0737 4.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9313 -3.7916 3.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -1.0644 4.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 -2.4315 4.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 0.2692 5.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 0.1881 7.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 -1.0754 6.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 1.8606 5.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2919 1.2998 5.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2474 0.5306 3.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5054 1.7272 3.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7955 -1.2865 3.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2217 -0.2184 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 -0.5199 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5751 1.4007 -2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7418 1.6989 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4201 5.9975 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1059 4.9565 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 4.9017 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 3.8339 -0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 6.9148 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 5.8758 0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2538 5.8073 -2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 6.5846 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2671 3.6010 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 4.3695 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 5.3046 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 4.4364 -2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8608 2.2691 -0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 3.2157 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 4.2183 -0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7192 3.3509 -2.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6724 2.3123 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3359 1.1606 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3016 2.8433 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 1.9332 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 0.8834 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1657 -0.1639 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 1.4222 3.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3346 -0.3501 2.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -0.5312 3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8003 1.2678 3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3606 -0.6933 5.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1877 1.0745 5.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6289 -0.5126 5.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -0.6763 6.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9539 0.9389 5.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 -1.1251 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 -0.1098 -2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 1.1375 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0609 0.0247 -3.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0589 3.0364 -3.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 1.8595 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 2.9555 -6.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 1.2205 -7.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 2.4611 -7.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8468 2.7265 -4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4883 3.3382 -6.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 3.8626 -4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3249 -0.1601 -5.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7923 0.8455 -5.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 0.4759 -4.1782 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 1 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 24 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M CHG 2 48 -1 52 1 M END