HMDB0007887 RDKit 3D PC(14:0/22:1(13Z)) 140139 0 0 0 0 0 0 0 0999 V2000 13.2137 -0.8767 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6578 -0.8137 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8788 0.0127 2.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8430 1.4579 2.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 1.9031 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2467 3.4033 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4877 4.1473 1.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0118 3.9809 1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5436 2.6407 1.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7786 1.9918 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 2.5384 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7586 1.7154 -1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3204 0.3015 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 0.0894 -1.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2256 0.7209 -2.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 0.5401 -2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 -0.9063 -2.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 -0.9187 -2.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 -0.2526 -1.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 -0.9428 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 -0.1478 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 -0.1382 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 0.8049 -0.2128 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4103 -1.1728 0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 -1.2190 0.6096 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6828 -1.2752 1.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -1.3163 1.3735 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6454 -0.3053 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9802 0.7242 0.3911 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 -0.4492 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5831 0.7439 -0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6056 2.0119 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5434 1.8366 1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6014 3.0784 2.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5608 2.8602 3.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9435 2.5527 2.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4712 3.6578 2.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8806 3.2778 1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3433 4.4453 0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7244 4.1297 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1316 5.3239 -0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4991 5.1247 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9891 -2.4682 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 -2.3504 -1.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -3.6647 -2.4577 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1631 -4.5593 -2.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4526 -3.0763 -4.0637 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7818 -4.5672 -2.2231 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -5.7535 -1.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -6.4470 -1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8372 -7.6921 -0.7132 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1222 -8.3835 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 -7.4722 0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 -8.5468 -1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9058 -0.3681 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1815 -0.5747 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2292 -1.9930 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7367 -0.4416 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7534 -1.8519 1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2767 -0.1653 3.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7854 -0.3246 2.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8703 1.9380 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2025 1.9093 2.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3189 1.4796 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 1.5733 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3146 3.8098 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9429 3.6640 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8175 3.8498 2.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7131 5.2727 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6877 4.4635 0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5908 4.6942 2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8589 2.1317 2.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4665 0.9660 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4682 3.6032 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1617 2.4932 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 2.2151 -2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8592 1.7628 -1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7158 -0.2655 -0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7246 -0.2045 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3115 0.3783 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6685 -1.0014 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4287 1.8027 -2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 0.2082 -3.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 1.1082 -3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 1.0015 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -1.3417 -3.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6022 -1.4659 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 -0.4851 -3.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4721 -1.9947 -2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0728 -0.3361 -1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 0.8154 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9765 -1.9296 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 -1.0591 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9825 -0.7809 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 0.8629 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 -0.3086 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 -0.4987 2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 -2.2538 2.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7134 -0.7816 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0451 -1.2925 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6410 0.5028 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0265 0.8274 -1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6058 2.3166 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 2.8214 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1893 1.0035 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5529 1.6348 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 3.3091 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8816 3.9355 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5561 3.7134 4.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2421 1.9740 4.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9372 1.5866 2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6545 2.4028 3.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8124 3.8328 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5090 4.6054 2.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8308 2.3859 0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5389 3.1316 2.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6083 4.5318 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2935 5.3745 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6965 3.2618 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4342 3.9797 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0825 6.2479 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3889 5.3689 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2200 5.7393 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7619 4.0348 -1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4921 5.4795 -2.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -2.5194 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 -3.3639 0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 -6.3757 -2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 -5.5703 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2841 -6.6062 -2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 -5.7746 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9534 -7.7940 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1204 -9.3568 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3471 -8.5975 -1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 -6.7369 1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7897 -8.4663 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6352 -7.1051 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 -8.4119 -0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5069 -8.3000 -2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1213 -9.6074 -1.2392 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 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 2 0 28 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 25 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 6 26 97 1 0 26 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 52132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 54140 1 0 M CHG 2 47 -1 51 1 M END