HMDB0276040 RDKit 3D PI(16:0/20:4(5Z,8Z,11Z,14Z)-OH(17)) 139139 0 0 0 0 0 0 0 0999 V2000 7.7427 3.0613 -6.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 2.2211 -5.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3115 1.7247 -4.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8699 0.8670 -3.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 1.6601 -2.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5039 0.8429 -1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6263 1.6727 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3896 2.1931 -1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 3.0209 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0937 2.3612 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 1.1883 0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9496 1.5725 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 0.4242 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 -0.7266 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -1.8595 -1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -1.4060 -1.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5531 -1.6766 -3.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 -0.6661 -1.4071 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6219 -0.2516 -2.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5177 -1.2293 -2.8333 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2705 -0.4642 -3.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2887 0.2588 -4.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8331 1.2166 -5.8506 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2666 0.8398 -7.1806 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5184 1.1598 -5.9706 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3059 2.8021 -5.5169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 2.8329 -5.4382 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3603 3.7890 -6.4656 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6746 3.2909 -7.7271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 3.8709 -6.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2522 4.4927 -7.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 4.6239 -4.9634 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6261 4.2317 -4.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 4.4705 -3.9622 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6077 5.5504 -3.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 3.1494 -4.0472 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4888 3.1558 -3.1631 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3351 -2.0057 -2.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4294 -3.3469 -1.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6027 -4.0713 -2.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4704 -3.8652 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9845 -4.1000 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8669 -5.1174 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 -5.2963 1.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3991 -5.0961 2.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 -4.6050 1.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7311 -3.3238 2.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 -3.1715 2.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -4.2092 2.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 -4.7339 4.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 -4.4750 5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 -3.5096 5.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2081 -4.3068 6.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 -4.0158 7.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 -2.9305 8.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8716 -1.9876 9.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.9475 9.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 -2.6785 9.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9253 -1.7064 10.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8956 -2.4274 11.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 3.7996 -6.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 3.5569 -7.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2806 2.3739 -7.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 1.3643 -6.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4897 2.8583 -4.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 1.0679 -5.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9273 2.5864 -4.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 -0.0511 -3.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7777 0.6156 -3.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 2.5501 -2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0539 2.0156 -3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 0.4920 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 -0.0255 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 2.5617 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3799 1.1050 0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8436 1.3261 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 2.8558 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 3.5818 -0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 3.8491 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6355 3.1329 1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 1.9686 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 0.3799 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 0.8536 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 1.9551 -1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 2.3504 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 0.0163 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 0.7966 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 -0.4158 -1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 -1.1138 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 -2.6554 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5689 -2.2358 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 0.3601 -3.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 0.5377 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8378 -1.9317 -3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9375 0.2423 -3.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 -1.1762 -4.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8244 0.4059 -5.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 1.7986 -5.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8727 4.7574 -6.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0915 2.4984 -7.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 2.8326 -6.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 3.8939 -7.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 5.7034 -5.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3732 4.8142 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 4.5122 -2.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0531 6.3726 -4.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 2.3688 -3.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 3.7361 -2.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3893 -3.2036 -1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8624 -4.8350 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8556 -4.5194 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7114 -3.1307 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3768 -6.0985 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -5.0027 -0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3556 -5.6587 2.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 -5.2786 3.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 -4.4321 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -5.4437 1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -2.4575 2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -2.1253 3.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 -5.0606 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 -3.7480 2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 -5.5225 3.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3376 -5.0086 6.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2306 -2.7349 6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 -2.9599 4.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -5.1519 6.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 -4.6546 8.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -2.3320 8.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3793 -3.3854 9.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4325 -1.6460 8.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4262 -1.0495 10.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 -3.5111 9.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -3.0643 10.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 -0.8759 10.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 -1.2577 9.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 -2.0743 12.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9554 -2.1638 10.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8312 -3.5161 11.1977 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 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 20 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 36 27 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 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 19 92 1 0 19 93 1 0 20 94 1 6 21 95 1 0 21 96 1 0 25 97 1 0 27 98 1 6 28 99 1 1 29100 1 0 30101 1 1 31102 1 0 32103 1 6 33104 1 0 34105 1 1 35106 1 0 36107 1 1 37108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 60137 1 0 60138 1 0 60139 1 0 M END