HMDB0263948 RDKit 3D PA(18:1(9Z)-O(12,13)/18:2(9Z,11Z)) 118118 0 0 0 0 0 0 0 0999 V2000 -13.3454 -1.1794 4.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9210 -0.9486 3.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0888 -0.3736 2.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9505 -0.0918 0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0498 0.9154 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5835 0.8568 0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9140 1.9537 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0409 1.6337 -1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6072 0.3086 -1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7203 0.1261 -2.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0405 1.1358 -3.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5088 0.9815 -2.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3306 1.2465 -1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0145 1.2191 -0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 0.0064 -0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -0.6670 -2.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9182 -1.8740 -1.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 -1.3282 -1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 -0.3904 -1.6819 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2033 -1.8233 0.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 -1.2516 0.6075 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9820 -2.3338 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 -1.8317 1.3689 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 -0.9375 0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6237 -0.5712 -0.4255 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 -0.4532 1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4267 -1.3691 1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8871 -1.7663 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 -0.7876 -1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5241 0.2591 -1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 1.2136 -2.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2026 2.0102 -2.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3084 2.7359 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 2.6547 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5350 1.9324 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0587 1.0199 -1.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5617 -0.1773 -1.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5602 -0.3259 -0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8719 -0.8603 -1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0526 0.0148 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1939 0.1810 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3987 -1.1496 1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5324 -0.8803 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 -0.5102 1.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 0.4921 1.6333 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 1.3684 3.0184 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9156 0.8347 3.5921 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 3.0092 2.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 1.1487 4.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6190 -0.2075 4.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1824 -1.8794 4.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4900 -1.6728 5.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9884 -0.4068 3.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7201 -1.9833 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9881 -1.0689 2.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4080 0.5270 2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7671 -1.0979 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9968 0.1683 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4342 1.9578 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2413 0.9146 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1690 -0.1226 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3689 1.1061 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1935 2.9740 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5951 2.4893 -1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0029 -0.5513 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4488 -0.9152 -2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2217 1.0298 -4.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2354 2.1803 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0178 1.7561 -3.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2773 0.0226 -3.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7775 2.2677 -1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9732 0.4790 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 2.0650 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1589 1.7191 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6781 -0.7496 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 0.3006 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 -0.0171 -2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 -1.1537 -2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4073 -2.6474 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6465 -2.2749 -2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -0.5062 -0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6004 -3.0962 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 -2.8034 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0757 -0.5572 2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4593 0.6267 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1484 -2.3418 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 -0.9617 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0959 -2.3973 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6812 -2.5868 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3259 -0.2655 -0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8124 -1.3703 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -0.3037 -2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 0.8147 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 1.9697 -2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9588 0.7154 -3.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0904 2.8736 -3.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0787 1.4739 -2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4372 3.4152 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1113 3.3376 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6460 1.4194 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3774 2.7291 -0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7670 1.4602 -2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1835 -0.6687 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0242 -1.8521 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8162 -1.0338 -2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9589 -0.4729 -1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9337 0.9894 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2552 0.6227 0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0217 0.8723 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2725 -1.6998 0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4624 -1.7556 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4073 -0.2676 2.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5092 -1.8536 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6396 -0.3119 2.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6305 -1.2388 2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 -0.0110 2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9597 3.3217 2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3325 1.7934 3.9385 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 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 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 21 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 38 36 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 6 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 48117 1 0 49118 1 0 M END