HMDB0115542 RDKit 3D PA(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) 119118 0 0 0 0 0 0 0 0999 V2000 -13.8999 1.0615 -2.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6812 2.1587 -1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3363 1.8474 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6683 1.7303 1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1956 1.8907 1.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6373 0.6461 1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7537 -0.0854 1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1875 0.2593 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4864 -0.8848 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5739 -1.6281 -1.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1315 -1.3445 -1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4161 -1.0245 -2.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3725 -1.6973 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7991 -2.8347 -2.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3721 -2.7628 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 -1.6792 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -0.2818 -1.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6108 0.6510 -0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3656 1.5250 -0.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 0.5730 -0.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 1.4538 0.9690 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5554 2.0359 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4516 1.1175 0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 0.0698 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 -0.1581 -1.1448 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 -0.8595 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 -0.3070 0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 -1.1085 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 -0.4331 2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 0.9314 2.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1007 1.5226 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1516 1.6323 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 0.4752 -0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4392 -0.3901 -0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5642 -1.0242 0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 -0.9460 1.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 -0.1515 1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 0.7479 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0606 0.6162 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0409 -0.4799 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3689 0.1166 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0095 0.9981 -0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4299 0.4684 -2.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3448 -0.0555 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 0.5414 2.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 0.0604 2.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2681 -0.9613 3.6908 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4948 -0.5525 4.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 -0.9267 4.7193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5376 -2.5746 3.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9873 0.8613 -2.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2182 0.1238 -1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7444 1.3217 -3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2380 3.0609 -1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6433 2.4531 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4253 1.7051 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2015 1.4950 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0543 2.6817 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7522 2.3774 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0113 0.3107 2.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3915 -1.0143 1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7243 1.1738 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1380 0.5574 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5331 -1.1401 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8498 -2.4662 -2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9267 -0.6209 -0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7605 -2.3213 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7823 -0.1765 -3.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 -1.3705 -4.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3585 -3.2646 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 -3.7470 -3.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 -3.7424 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6885 -2.7013 -2.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 -1.8592 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -1.7156 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2554 -0.2223 -2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0024 0.0558 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 2.1718 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3134 2.7585 1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 2.6309 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 -0.8985 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -1.8564 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0213 -0.2900 1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 0.7118 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4891 -2.0823 1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 -1.4230 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -0.4997 3.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 -1.0864 2.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 1.6675 2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 1.1842 3.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1526 1.3323 1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0839 2.6873 1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 2.3990 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 2.2695 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3918 0.8870 -1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 -0.0715 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3043 0.2064 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3492 -1.2389 -1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7067 -1.7540 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2775 -1.5929 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5745 0.4965 2.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5739 -0.7776 1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3543 1.6623 0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 1.3819 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0873 -1.0703 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7544 -1.2434 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1068 -0.7037 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2788 0.6715 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9448 1.4642 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3960 1.9236 -1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2670 -0.2883 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9314 1.3455 -2.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3487 -1.1721 -3.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6085 0.2284 -4.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 0.4203 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 1.1191 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -0.3208 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 -1.7150 4.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7112 -2.8936 2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 1 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 49118 1 0 50119 1 0 M END