HMDB0008336 RDKit 3D PC(20:2(11Z,14Z)/18:2(9Z,12Z)) 140139 0 0 0 0 0 0 0 0999 V2000 0.7411 0.8916 3.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 -0.0432 2.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4794 -0.6872 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 0.3990 0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0148 -0.1444 -1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6864 0.9684 -1.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 1.3988 -3.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 0.8646 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4965 0.4448 -4.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 0.3337 -5.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 0.5738 -5.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 1.7804 -6.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 1.8068 -6.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 1.5666 -4.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 1.6195 -4.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4945 2.8122 -3.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8503 3.8684 -3.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 3.2852 -1.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4119 2.6445 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5712 2.0123 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1967 2.7362 1.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 0.7194 0.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -0.1676 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0858 -0.5634 2.3407 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5067 0.5266 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0865 -0.0812 4.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 1.0522 5.4904 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.1342 0.3256 6.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 1.9370 5.9961 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.7687 2.1082 4.9152 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4636 3.3934 5.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4387 4.4316 4.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 4.5403 3.4767 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.0406 3.3117 2.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3061 4.9016 2.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5164 5.5857 3.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -1.4849 2.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -2.8149 3.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -3.2214 2.5616 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 -3.7947 3.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5785 -4.5327 2.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0791 -5.2391 1.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 -6.1343 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -5.6748 0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -4.5892 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 -4.4022 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -4.0917 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 -3.0585 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 -1.9999 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9471 -1.9227 -1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6807 -0.8600 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 0.3483 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2769 1.5082 -1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6666 1.7416 -1.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6561 2.0689 -0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2818 3.2967 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 1.8590 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 1.1716 4.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2741 0.4714 3.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 0.5313 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 -0.8443 3.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -1.2638 1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 -1.3769 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 1.1271 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 0.9346 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 -0.6991 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 -0.8139 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 1.5244 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8227 2.3028 -3.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 1.6879 -3.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9169 -0.0021 -2.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 0.1607 -5.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7025 0.0076 -6.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2081 0.4575 -4.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4775 -0.3394 -6.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 2.6722 -5.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 1.6961 -7.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 0.9735 -6.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 2.7253 -6.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5335 2.0800 -3.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0212 0.4499 -4.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3198 0.8859 -4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 1.0731 -3.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 2.5351 -3.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7419 3.2880 -4.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 4.6660 -2.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9929 4.2900 -3.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 2.6531 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0087 4.1683 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0801 3.3469 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 1.8935 -1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 0.0901 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 -1.1624 0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 -1.1946 2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7722 1.2921 3.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4014 1.0264 2.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4303 3.7041 5.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5097 3.3556 6.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4353 4.3148 5.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0353 5.4186 5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8093 2.8119 3.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2118 2.6050 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5775 3.5807 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 4.2300 3.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0514 5.9405 3.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4566 4.8097 1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3646 5.5832 3.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7927 5.4040 2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9577 6.5632 3.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0447 -3.2472 4.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 -4.5313 4.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 -3.9042 2.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 -5.3192 3.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 -5.8627 2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4506 -4.5377 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -7.1028 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -6.5724 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7961 -5.3764 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 -6.6036 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9098 -3.6485 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6919 -4.8562 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 -3.7472 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 -5.4203 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6838 -4.8614 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 -2.9749 1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -2.3302 -1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 -1.0880 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3391 -2.8059 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7139 -0.8904 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 0.5974 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 0.3896 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.3410 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9655 2.4578 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 0.8887 -2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6087 2.6505 -2.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6218 2.3005 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8817 1.2112 -0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6889 2.9567 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5901 3.9703 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1336 3.8598 0.4515 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 6 25 95 1 0 25 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 56140 1 0 M CHG 2 29 -1 33 1 M END