HMDB0007879 RDKit 3D PC(14:0/20:1(11Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -1.7874 -1.2076 -7.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 0.0306 -6.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 1.0588 -7.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 2.3233 -7.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5757 2.9608 -6.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 4.2590 -5.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 4.7638 -4.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 6.0741 -3.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 6.0891 -3.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 6.3457 -2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6719 6.6534 -1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8619 5.6042 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8784 5.7812 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 4.7224 2.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0716 4.9354 3.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 4.0180 4.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 2.5571 4.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0172 1.6472 5.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 0.1815 4.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 -0.2749 4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 0.4752 3.7097 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 -1.6249 3.7636 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 -2.0224 2.9582 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1880 -2.5888 1.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 -3.0261 0.7462 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 -2.2240 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -1.0061 0.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -2.7649 -0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 -4.2601 -0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2261 -4.9160 -2.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -6.3526 -2.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 -6.9366 -2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 -6.6225 -2.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0459 -5.3209 -3.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 -5.0638 -2.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 -3.7290 -3.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3519 -3.4103 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -3.3690 -1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0413 -3.0350 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2539 -3.0039 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 -3.0933 3.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -3.3969 2.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 -4.5531 3.4339 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6900 -5.7909 3.9276 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4279 -4.9830 2.1867 O 0 0 0 0 0 1 0 0 0 0 0 0 4.3437 -3.8828 4.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1019 -2.9098 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0407 -2.1916 4.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3831 -1.5055 5.9940 N 0 0 0 0 0 4 0 0 0 0 0 0 4.3443 -0.6193 5.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7618 -2.3933 6.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 -0.6269 6.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 -1.6812 -6.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.8960 -7.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 -1.9414 -7.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -0.2784 -6.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 0.4368 -5.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5383 1.2659 -7.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 0.5884 -8.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1713 3.0324 -8.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3286 2.1263 -7.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 3.1805 -6.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6511 2.2798 -5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 4.9982 -6.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2581 4.0195 -5.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4718 4.0240 -3.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 4.9405 -4.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 6.4153 -3.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 6.8465 -4.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1024 5.8671 -4.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 6.3317 -1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9364 7.6489 -0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 6.6742 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8816 5.7209 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 4.6144 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 5.5901 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 6.7782 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 3.7521 1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 4.9340 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1967 5.9866 3.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 4.9041 2.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 4.2756 5.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0355 4.2233 5.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 2.3573 3.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9391 2.3473 3.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9086 1.8618 5.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1437 1.9271 5.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 -0.1044 4.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 -0.3480 5.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 -1.1549 2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9291 -3.3919 1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -1.8056 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.6053 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.2974 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 -4.4631 -0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7767 -4.6589 0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -4.3680 -2.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 -4.7308 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 -6.7785 -2.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1476 -6.8795 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 -8.0957 -2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -6.9078 -3.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 -6.7018 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 -7.4065 -3.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1551 -5.5021 -4.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5775 -4.4679 -3.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5816 -5.0033 -1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -5.8691 -3.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 -3.7425 -4.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 -2.9153 -2.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 -4.1898 -3.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 -2.4117 -3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9419 -2.6239 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -4.3732 -1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7149 -3.7705 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2676 -2.0222 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2303 -3.4481 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2647 -1.9522 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4088 -3.5391 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 -2.6514 4.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6195 -3.9414 3.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4601 -2.1782 3.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 -3.4416 3.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6098 -1.4413 4.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -2.9287 5.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 0.1253 4.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -1.1788 4.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 -0.0206 6.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0765 -2.0490 7.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -2.3485 6.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1281 -3.4323 6.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 -0.3239 7.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 0.2531 5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3371 -1.1438 6.6649 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 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 23 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 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 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 52134 1 0 M CHG 2 45 -1 49 1 M END