HMDB0285995 RDKit 3D PC(16:1(9Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 133133 0 0 0 0 0 0 0 0999 V2000 9.1795 -0.4965 3.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1478 0.0265 4.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7173 -0.4217 4.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 0.1032 5.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3233 -0.1397 4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -1.5114 4.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 -2.3789 3.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2206 -2.9050 2.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 -2.6707 2.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 -2.0147 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 -2.6333 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1463 -2.7558 -0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7598 -3.4692 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9159 -3.5697 -2.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -4.3260 -3.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3715 -3.7842 -4.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2286 -3.9868 -4.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4171 -3.1030 -5.8529 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 -2.5967 -6.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 -1.4762 -5.9381 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4228 -0.2437 -5.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 0.8927 -5.4974 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 2.1915 -5.5369 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0536 3.3968 -6.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1025 1.8890 -6.6198 O 0 0 0 0 0 1 0 0 0 0 0 0 1.4864 2.5480 -4.0275 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8058 3.6415 -3.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 3.9956 -2.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 4.3692 -2.0688 N 0 0 0 0 0 4 0 0 0 0 0 0 3.1453 5.1633 -3.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 3.2308 -1.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 5.2082 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 -1.8046 -4.6954 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 -2.0149 -4.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -1.9272 -5.2527 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 -2.3462 -2.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0878 -2.9062 -2.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -3.1471 -1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5344 -3.7666 -0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4544 -3.2769 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3085 -1.9019 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5703 -1.1933 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4377 -0.6447 0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2426 -0.6729 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0686 0.5280 2.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0573 1.7563 2.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2143 2.3188 1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 3.1094 0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7969 2.4127 0.6664 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8699 3.2720 1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0147 4.5214 1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3281 4.6588 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 3.6124 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7889 3.9162 -1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 5.2674 -1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8724 -1.3875 2.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 0.2853 2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0943 -0.7673 4.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2070 1.1142 4.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 -0.4724 5.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8274 -1.5402 4.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6027 -0.0787 2.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0938 -0.2350 6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 1.2291 5.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 0.4013 3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 0.3635 5.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1655 -2.0383 5.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 -1.4409 4.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1327 -2.6808 3.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6608 -3.5615 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 -2.3791 3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 -3.7634 2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 -0.9207 1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -1.9729 2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3816 -3.6292 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2034 -2.0081 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 -3.3145 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5483 -1.7665 -0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -2.8901 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 -4.4586 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -4.1782 -2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3399 -2.5713 -2.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -5.3580 -3.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 -4.4690 -4.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -3.4091 -6.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7336 -2.2216 -7.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.3077 -6.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -0.0566 -6.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2936 -0.3878 -5.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2396 3.2953 -3.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 4.5053 -4.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2209 3.0990 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6934 4.7773 -1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8361 4.7221 -4.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 6.1978 -3.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 5.1490 -3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3485 2.3980 -2.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 2.9667 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 3.6009 -2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 6.0106 -0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8896 5.6994 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 4.6060 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 -3.1175 -2.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6298 -1.4710 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 -3.8535 -3.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8213 -2.1519 -3.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 -3.8766 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 -2.2295 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7356 -4.7959 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3686 -3.8692 0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4273 -1.3579 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1917 -2.0233 1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7983 -1.1225 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3550 -0.2244 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4855 -1.4336 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2110 -1.1864 2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9249 0.3612 4.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8942 2.5154 3.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6596 1.7448 0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9883 3.1753 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2216 3.8615 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9682 2.7812 2.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 4.4279 2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6166 5.4148 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8145 5.6483 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1082 4.6810 -0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 2.6086 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 3.6234 0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 3.1420 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6545 3.8821 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 5.3665 -2.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 6.0847 -1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 5.4550 -0.6192 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 2 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 29 30 1 0 29 31 1 0 29 32 1 0 20 33 1 0 33 34 1 0 34 35 2 0 34 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 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 50 48 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 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 0 19 86 1 0 20 87 1 6 21 88 1 0 21 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M CHG 2 25 -1 29 1 M END