HMDB0008350 RDKit 3D PC(20:2(11Z,14Z)/22:2(13Z,16Z)) 152151 0 0 0 0 0 0 0 0999 V2000 -7.6692 11.6617 -1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5781 11.7702 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5141 10.7096 -0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1055 9.3326 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 8.2854 -0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5918 6.9549 -0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5619 6.0265 -1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8972 6.2347 -2.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 5.2322 -2.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 5.4673 -3.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 6.8252 -3.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9618 6.8517 -1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 6.4532 -0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 6.4760 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 6.0578 1.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 4.6452 1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 4.0619 3.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 2.6602 2.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 1.7335 2.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1563 0.3656 2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 -0.6020 1.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.9121 2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -0.5947 3.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -1.5583 1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 -1.9222 1.8724 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3417 -1.0253 1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4297 -1.0172 -0.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.4906 -0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 0.0728 -0.4802 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7584 -0.5264 -2.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9214 -1.2982 -3.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 -1.1341 -3.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -1.9627 -2.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -3.4032 -2.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 -4.4489 -2.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 -5.1236 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -5.8088 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 -6.9199 0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -7.5243 0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -7.8190 1.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7391 -7.7014 3.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -7.2724 3.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9405 -6.2822 4.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0265 -5.4670 5.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2295 -3.9504 4.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 -3.5890 5.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 -2.1181 5.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 -1.6714 5.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6998 -3.3371 1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 -3.4875 2.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -4.9504 1.7409 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0445 -6.1268 2.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2909 -4.8815 2.3444 O 0 0 0 0 0 1 0 0 0 0 0 0 4.7844 -5.2159 0.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 -4.4751 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8235 -4.7410 -1.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8426 -4.0419 -2.7161 N 0 0 0 0 0 4 0 0 0 0 0 0 6.5551 -4.2357 -4.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1484 -4.6170 -2.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 -2.6217 -2.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4075 10.9381 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5969 11.2522 -0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 12.6517 -1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0211 11.7159 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0939 12.7775 -0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7063 10.9143 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1395 10.7557 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9024 9.1843 -1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5583 9.2611 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3596 8.4931 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 8.4060 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1045 6.6971 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0408 5.0495 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 7.2696 -2.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7272 5.9662 -3.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1189 4.1646 -2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 4.6577 -3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 6.9592 -4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6984 7.6473 -2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 7.8766 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 6.1689 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3328 7.2344 -0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 5.4835 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 7.4999 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 5.8169 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 6.1621 2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 6.7730 2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 4.5760 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 4.0304 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 4.6609 3.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 4.1000 3.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 2.7067 2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 2.2156 3.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 1.6377 2.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0627 2.0879 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0488 0.4761 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 0.0064 2.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7767 -1.5998 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0695 -0.3327 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 -1.7732 2.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 -0.0193 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 -1.4713 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 -0.8234 -2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 0.5642 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 -0.9933 -4.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -2.3996 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 -0.0717 -3.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 -1.2669 -4.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -1.6197 -2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 -1.8804 -1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 -3.7080 -2.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4804 -3.3039 -3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 -4.2471 -2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 -5.3398 -3.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 -5.8780 -1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6732 -4.4383 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6442 -5.0755 -0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 -6.3407 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 -6.4356 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9505 -7.6543 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 -7.7363 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -8.2755 1.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -7.1326 4.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8959 -8.7667 3.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 -7.8302 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 -6.0682 4.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 -5.5675 6.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0296 -5.6777 5.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 -3.6517 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 -3.4557 5.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 -3.8342 6.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 -4.1788 4.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9983 -1.5324 5.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9306 -2.0009 4.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0082 -1.8066 5.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 -2.3633 6.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1096 -0.6488 6.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 -4.0122 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6847 -3.5115 0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -3.4100 -0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 -4.6485 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8517 -4.4460 -2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9772 -5.8253 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9707 -3.3996 -4.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0192 -5.1991 -4.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 -4.3162 -4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3866 -4.4234 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0668 -5.7081 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8632 -4.1748 -3.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -2.3865 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 -2.2374 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9456 -2.0500 -3.4648 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 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 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 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 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 1 26101 1 0 26102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 58144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 60152 1 0 M CHG 2 53 -1 57 1 M END