HMDB0269915 RDKit 3D PG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/20:4(5Z,8Z,11Z,14Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -9.8861 -3.6669 -2.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9019 -2.5794 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8001 -2.5593 -0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8774 -1.4912 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4905 -1.7270 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6071 -0.6618 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5649 -0.9178 0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 -2.2689 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0942 -2.2891 2.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0293 -2.5540 3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -2.8633 2.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7016 -1.9197 3.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 -2.3772 3.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 -3.8074 4.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 -4.0106 5.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2918 -4.4887 5.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -4.8512 4.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 -4.2030 5.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 -2.7386 5.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -1.9846 3.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5522 -2.5365 3.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4284 -0.5932 3.7507 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7939 0.0708 2.6289 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8684 0.5583 1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 1.1174 0.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1779 1.5603 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4405 1.4563 -0.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7984 2.1416 -1.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 3.1097 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 2.5799 -1.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 3.6673 -1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 3.7083 -1.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4744 2.7271 -2.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 3.3080 -4.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 2.9016 -5.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 1.6677 -5.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2428 1.8718 -6.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 1.5654 -6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 0.9285 -5.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -0.3830 -5.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 -1.4991 -4.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 -1.5984 -3.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 -2.4232 -4.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -2.1130 -5.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6405 -2.2253 -6.5702 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0802 -3.6664 -6.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 -1.9242 -7.4916 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0703 1.2336 3.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 2.0302 2.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5887 3.3019 3.2114 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8122 3.1508 4.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 3.1840 2.8587 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 4.7632 2.7461 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7536 5.5022 3.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 6.8251 3.3284 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3162 6.6903 2.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 7.7534 2.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 7.7822 3.9231 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5676 -4.5991 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8024 -3.7957 -3.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9162 -3.3677 -1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2216 -1.6405 -2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9157 -2.8619 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7886 -2.4119 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4325 -3.5826 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7562 -1.5107 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1759 -0.4753 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6475 -1.5305 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -2.7433 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8405 0.4099 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9389 -0.0822 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -2.5460 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9305 -3.0619 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0176 -2.0617 3.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1095 -2.5402 4.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5256 -3.9252 2.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 -2.6583 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 -0.8272 3.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -1.5954 4.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -4.0958 3.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -4.4283 3.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 -3.7319 6.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 -4.6036 6.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0068 -4.9046 3.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 -5.9783 5.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 -4.5567 6.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -4.7026 4.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8633 -2.4659 5.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 -2.3713 6.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -0.6505 2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 -0.3000 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5327 1.2873 2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 1.3335 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 2.6737 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 4.0753 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 3.4139 -2.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 2.1668 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 1.7739 -2.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6223 4.5817 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3923 4.6726 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4144 2.4410 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 1.7858 -2.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 4.2829 -3.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 3.5164 -6.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 1.0081 -6.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 1.0594 -4.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0126 2.3527 -7.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 1.7895 -7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9026 1.5658 -4.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2527 0.9968 -4.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 -0.4120 -6.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 -2.4265 -5.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 -2.1699 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -0.6411 -3.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 -3.4961 -4.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 -2.4450 -3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 -1.1439 -5.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 -2.8697 -5.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 -1.5710 -6.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 -3.8620 -7.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -3.8522 -6.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3511 -4.3507 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -2.5808 -8.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 1.8903 3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 0.8660 4.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 3.9779 3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 5.7662 4.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4686 4.9003 4.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 7.3102 4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 6.6437 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 8.7772 2.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 7.4375 1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 8.5812 3.8871 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 2 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 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 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 32100 1 0 33101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 1 46120 1 0 46121 1 0 46122 1 0 47123 1 0 48124 1 0 48125 1 0 52126 1 0 54127 1 0 54128 1 0 55129 1 1 56130 1 0 57131 1 0 57132 1 0 58133 1 0 M END