HMDB0008245 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) 134133 0 0 0 0 0 0 0 0999 V2000 4.1071 -1.3812 11.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6724 -1.7932 10.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 -1.1348 9.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -1.7203 8.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 -3.2078 8.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 -3.6691 8.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 -4.2849 7.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 -4.5810 5.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -6.0150 5.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3434 -6.4550 4.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -5.6223 3.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 -5.9456 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -5.1289 3.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 -3.7723 3.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8126 -2.6331 2.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -2.4794 1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3452 -3.4935 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 -3.1203 -0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -2.2480 -0.7369 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 -3.7009 -2.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 -3.3289 -3.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 -1.8626 -3.5938 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2234 -1.6018 -4.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 -0.2470 -4.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 0.2070 -5.7631 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7268 -0.9936 -6.6633 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7908 0.7247 -4.9569 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8383 1.4467 -6.7881 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 2.4689 -6.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 3.5052 -7.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 4.6318 -6.4268 N 0 0 0 0 0 4 0 0 0 0 0 0 0.3319 5.5998 -7.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 4.1439 -5.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 5.3390 -5.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -1.5747 -4.4551 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -0.8346 -3.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -0.4517 -2.7475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -0.5003 -4.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5827 -0.0822 -3.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 1.1399 -3.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 1.8663 -2.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7506 2.6445 -2.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 3.2914 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 4.3213 -2.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 4.3633 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0061 3.3303 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9981 2.9095 -2.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 3.1245 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0306 3.8027 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4627 4.3555 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8416 3.9141 1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8168 2.8869 1.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2069 1.7004 2.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1786 1.0608 1.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8293 0.4664 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 -0.1220 -0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8924 -0.3074 11.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 -1.6432 12.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 -1.9845 11.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -2.8711 10.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6975 -1.3141 10.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -0.0229 9.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6873 -1.1309 7.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7227 -3.4041 7.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -3.7476 8.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1827 -3.4938 9.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -4.5830 7.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -4.2773 5.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4861 -3.8982 5.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 -6.6800 6.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 -7.5522 4.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 -4.5500 3.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 -5.9375 2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -6.9611 2.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -5.4614 2.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -3.5071 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 -3.7067 4.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 -2.5607 2.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -1.6832 3.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 -2.4540 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 -1.4654 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 -3.4916 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0891 -4.4942 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 -3.5392 -2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -3.9063 -4.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1189 -1.2802 -2.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1445 -2.1816 -5.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 -1.8324 -3.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 2.9410 -5.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 2.0246 -5.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 3.0811 -7.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6685 3.9019 -7.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 6.0557 -7.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 6.4192 -6.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 5.1470 -8.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 3.5145 -6.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 3.5605 -4.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 4.9495 -5.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2052 6.0301 -4.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3245 4.6690 -4.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 6.0256 -5.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2547 0.3393 -5.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 -1.3644 -5.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7076 -1.0038 -3.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 -0.2917 -4.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0238 1.9382 -3.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 1.1536 -2.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 2.6546 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 1.1964 -1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 3.5510 -3.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 2.1429 -3.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6066 2.4614 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 3.8177 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 5.1841 -2.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 5.2477 -2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 2.4121 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3366 3.6299 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 2.3633 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8977 2.7271 -3.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9909 3.2772 -0.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 4.7272 -1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 5.2171 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3633 4.3898 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5522 3.3340 2.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3943 2.4520 0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 2.0459 3.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9806 0.9977 2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3764 1.7747 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6976 0.1977 1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4806 1.1153 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4282 -0.4399 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 0.1760 -1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 0.3221 -0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7854 -1.2443 -0.8288 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 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 2 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 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 1 23 87 1 0 23 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 38102 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 44114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 27 -1 31 1 M END