HMDB0010384 RDKit 3D LysoPC(18:0/0:0) 89 88 0 0 0 0 0 0 0 0999 V2000 -12.2317 -1.9658 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2145 -1.2262 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3518 -0.3038 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5805 -1.0610 -1.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6762 -2.0920 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6387 -1.4942 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8231 -0.5401 -0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7172 0.0898 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3098 0.8433 1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3924 1.5413 1.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5344 2.6353 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5279 2.4371 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 1.3509 0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 1.6166 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 0.5632 2.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4183 0.3106 1.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3126 -0.0520 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 -0.3632 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -1.5409 -0.4275 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 0.6115 -0.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 0.5281 -1.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 0.0162 -0.3703 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6451 -1.2719 0.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2392 -0.0645 -1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5138 1.2047 -1.5551 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9547 1.3458 -2.4148 P 0 0 0 0 0 5 0 0 0 0 0 0 7.9849 2.7681 -2.9578 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0118 0.2368 -3.7140 O 0 0 0 0 0 1 0 0 0 0 0 0 9.2815 1.0305 -1.4405 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8783 -0.1772 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0779 -0.4931 -0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -0.5558 0.5185 N 0 0 0 0 0 4 0 0 0 0 0 0 11.4966 0.6349 1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5150 -1.7174 1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5054 -0.5572 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2329 -1.6511 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2594 -1.7964 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0079 -3.0487 -0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7582 -0.5668 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5643 -1.8760 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9403 0.4753 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6405 0.1954 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1094 -0.3373 -2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3012 -1.6363 -2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0996 -2.5721 -1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3061 -2.8023 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1606 -1.0229 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 -2.3288 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4282 0.2674 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3743 -1.1187 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1028 0.6418 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0521 -0.7280 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1354 1.5088 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8932 0.0677 1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 1.9957 2.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8405 0.7674 2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2384 3.4486 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1054 3.1492 2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9012 2.4823 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 3.3968 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 0.3495 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 1.3302 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 1.7677 2.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 2.6242 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 -0.4428 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 0.8206 3.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 1.2222 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -0.4788 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 0.8893 -0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.8671 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1905 1.5791 -1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9772 -0.0261 -2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 0.7208 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1399 -1.9387 -0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 -0.7985 -1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 -0.4729 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 -1.0303 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2226 -0.1337 -2.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8739 0.2426 -1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4724 -1.4775 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7330 1.4454 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3651 0.9177 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7891 0.4568 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0986 -2.2935 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7660 -2.4240 1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1669 -1.4234 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9852 0.3925 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -0.7166 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9581 -1.4337 0.5453 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 1 0 8 9 1 0 9 10 1 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 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 6 48 1 0 7 49 1 0 7 50 1 0 8 51 1 0 8 52 1 0 9 53 1 0 9 54 1 0 10 55 1 0 10 56 1 0 11 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 21 71 1 0 21 72 1 0 22 73 1 1 23 74 1 0 24 75 1 0 24 76 1 0 30 77 1 0 30 78 1 0 31 79 1 0 31 80 1 0 33 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 35 89 1 0 M CHG 2 28 -1 32 1 M END