HMDB0262955 RDKit 3D PA(20:3(5Z,11Z,14Z)-O(8,9)/14:0) 112112 0 0 0 0 0 0 0 0999 V2000 -9.9033 3.5146 1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0651 2.9456 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8424 1.9450 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2787 0.8235 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0606 -0.2379 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4465 -1.2875 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0775 -2.5309 0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1967 -3.0697 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0195 -3.6195 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8046 -3.2070 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4967 -2.1164 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5486 -2.6189 -2.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1709 -1.6238 -3.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1706 -2.3140 -2.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3136 -1.4040 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 -1.6822 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5192 -0.8510 0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0856 0.4428 0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 1.6876 1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1723 2.0715 0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 1.1996 1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0742 0.0772 1.5402 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 1.6558 0.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 1.0965 0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8697 0.0203 -0.0447 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0585 -1.0699 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.8325 -1.4759 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 -3.0934 -1.8920 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4206 -3.5293 -0.8039 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4491 -4.4741 -2.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -2.7283 -3.3471 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1663 -0.4901 0.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 -0.2300 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1079 0.4907 -1.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6387 -0.7467 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7357 -0.0975 -0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8011 1.3779 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8908 2.0651 -1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2344 1.5062 -1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 1.6610 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8841 1.1735 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1067 -0.2365 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4025 -0.8630 0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6676 -0.3538 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1011 1.0295 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2052 1.2906 2.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6493 2.7113 2.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5911 4.5889 1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7433 2.9801 2.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9794 3.4809 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6201 3.7532 -0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1925 2.3972 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7489 2.4207 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1757 1.5317 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8884 1.1878 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3854 0.3335 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4277 -0.5050 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9547 0.2936 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0932 -1.0308 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4085 -3.2484 1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1098 -2.4543 -1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7948 -3.9808 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1990 -4.4513 0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9908 -3.7095 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3705 -1.6077 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0216 -1.2691 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9651 -3.4952 -2.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5884 -2.9859 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2468 -1.4960 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5534 -0.3534 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -2.6697 0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 -1.1461 1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4747 0.6186 -0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1121 0.4116 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 1.7254 2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1985 2.5357 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9228 3.1531 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1505 2.1132 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3088 1.8838 0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 0.6383 1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 0.5780 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1622 -1.7797 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 -0.7439 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 -4.6766 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6554 -2.3309 -3.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8227 -0.6380 1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6447 -1.8376 -0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6891 -0.5803 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5909 -0.3454 -1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 1.8430 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 1.5948 0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7615 2.0231 -2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8575 3.1464 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 1.9978 -1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 0.4169 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7593 1.0443 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3831 2.7061 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 1.8984 0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9929 1.3540 1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2900 -0.8749 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9191 -0.3996 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3548 -1.9699 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4533 -0.9674 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6662 -0.4548 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4899 -1.0352 0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6678 1.8538 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2142 1.0576 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9847 0.6317 2.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2638 1.1088 2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5848 2.9049 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 2.9303 3.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8852 3.4225 1.8723 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 14 12 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 0 24 80 1 0 25 81 1 6 26 82 1 0 26 83 1 0 30 84 1 0 31 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 47112 1 0 M END