HMDB0287805 RDKit 3D PC(22:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 156155 0 0 0 0 0 0 0 0999 V2000 -0.6399 -1.1730 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -1.6926 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.9256 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 -2.9721 -2.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -4.3332 -1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0739 -5.4182 -2.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -6.2841 -1.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -6.4703 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -6.4414 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6002 -5.7369 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 -4.7005 1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -4.2357 1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 -4.4201 2.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 -5.0723 4.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2308 -4.1238 5.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 -3.6250 5.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4294 -3.2902 5.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7098 -3.0431 6.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 -1.9034 4.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -1.0337 5.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3909 0.3837 4.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2615 0.7233 3.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1036 0.7390 2.9106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 1.0450 2.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 1.4113 1.2448 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8483 2.7862 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7769 3.1011 -0.3438 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 3.2558 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5475 3.1015 -0.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8015 3.6011 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 3.9894 -3.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 5.2454 -2.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 5.5655 -3.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 6.7470 -2.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 6.7854 -1.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 6.6433 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 6.8516 0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5247 6.6884 2.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 5.3235 2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 4.2471 2.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0881 4.3932 3.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 3.3408 2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 3.4832 1.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 2.4735 1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4148 2.6109 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 2.1686 -1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 2.4255 -1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 1.6686 -1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 2.0667 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8829 1.7726 -3.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 0.4856 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3324 0.3691 0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0726 -0.6541 -0.5746 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6338 -2.0746 -0.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7546 -0.4864 -0.3284 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.7249 -0.1841 -2.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7484 -0.9648 -2.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5328 -0.4365 -4.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 -1.2171 -4.8377 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5673 -2.6160 -4.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2089 -0.6987 -4.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 -1.0675 -6.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3268 -1.7031 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0132 -1.3686 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7005 -0.0888 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -2.5595 0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4387 -0.8599 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 -0.9352 -2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1859 -2.1576 -1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6383 -2.9969 -3.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 -2.7291 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7256 -4.4055 -1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4029 -4.2477 -0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -5.4369 -3.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2764 -7.0396 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9823 -7.4989 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 -5.7021 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2971 -7.2143 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7347 -5.9507 0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 -3.7378 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 -4.8864 2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -3.6930 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -4.0328 3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 -5.9386 4.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0592 -5.6199 3.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 -4.9267 6.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 -4.2474 6.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3172 -3.8123 4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 -3.8777 7.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3222 -1.9078 3.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 -1.4436 4.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4016 -1.0095 6.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 -1.4217 4.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5108 0.8870 5.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 0.8819 5.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 1.4412 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9156 2.8303 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2437 3.5672 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 4.4502 -2.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2468 2.7087 -3.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8063 3.1595 -3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7346 4.2624 -4.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 6.0764 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 5.0324 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 4.6635 -3.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 5.6083 -4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 6.8905 -3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 7.6847 -3.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 6.0049 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 7.7496 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 5.6078 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 7.3490 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 7.8731 0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 6.0988 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6838 7.4288 2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 6.9418 2.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 5.1250 1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6011 5.2409 3.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4764 3.2737 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 4.1840 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 5.4317 3.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 4.3033 4.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 2.3571 3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9245 3.3675 3.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 3.6182 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3633 4.4884 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 1.4379 1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6374 2.6741 2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8095 3.6985 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4521 2.0797 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 1.0075 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 2.4106 -2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 2.1405 -2.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 3.5335 -1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 0.5577 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 1.6184 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 1.4860 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7396 3.1309 -1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 2.6279 -3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 0.8819 -3.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 1.4028 -3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9128 0.9936 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5219 -0.4983 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 -2.0219 -2.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -0.9122 -2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 -0.6374 -4.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 0.6366 -4.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3158 -2.8405 -3.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8349 -3.1408 -5.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5609 -2.9992 -4.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0535 -0.7693 -3.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 0.3598 -4.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4139 -1.2845 -4.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 -1.0547 -6.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 -0.1204 -6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1662 -1.8941 -6.7584 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 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 43125 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 49137 1 0 49138 1 0 50139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 60148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 62154 1 0 62155 1 0 62156 1 0 M CHG 2 55 -1 59 1 M END