HMDB0240915 RDKit 3D 13-Methylicosanoylcarnitine 88 87 0 0 0 0 0 0 0 0999 V2000 -10.0194 0.8882 -2.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0089 1.8476 -1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8427 1.0464 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5295 0.2609 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3593 -0.5529 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1001 -1.3414 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8344 -0.4783 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7113 0.4724 1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6203 -0.2887 3.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7092 1.5246 1.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 1.2470 1.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 0.6039 0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3442 0.3341 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 -0.6092 1.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.8643 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9832 -1.4286 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -1.6976 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 -2.2225 -1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 -1.1805 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 0.0932 -2.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -0.3028 -1.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6058 -0.9437 -2.7657 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6225 0.0594 -0.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0332 -0.3042 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 -1.3580 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0795 -1.9776 1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 -1.6631 2.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7758 -2.9633 0.4169 O 0 0 0 0 0 1 0 0 0 0 0 0 7.6702 0.9653 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 1.0418 0.2010 N 0 0 0 0 0 4 0 0 0 0 0 0 9.8922 0.0053 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 1.3083 1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5158 2.2849 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2654 -0.1409 -2.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0202 0.7695 -3.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7649 1.2367 -3.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9719 2.3810 -1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1721 2.5511 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6521 0.2991 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8729 1.7005 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7181 1.0100 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5641 -0.3544 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2029 -1.3043 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5537 0.0522 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0441 -1.9916 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0931 -1.9661 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -1.2603 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -0.0677 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 0.9599 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8212 -1.0549 3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5175 0.4022 4.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5815 -0.8232 3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8314 2.2151 2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0084 2.2690 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 2.2718 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8102 0.7569 2.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 1.3947 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -0.2589 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 -0.1686 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 1.2433 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 -1.5745 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0839 -0.2245 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 -1.5493 2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 0.0895 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 -2.3546 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7774 -0.6631 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -2.5211 0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -0.8443 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 -3.1376 -1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0843 -2.3696 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.5758 -3.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7609 -1.0040 -2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 0.5691 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5385 0.7902 -2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 -0.8061 -1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2198 -2.1477 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 -0.8721 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1571 1.2755 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3089 1.8007 -0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7505 0.4801 -0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4391 -0.5236 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4369 -0.6734 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4445 1.0825 2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1950 0.6604 1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5964 2.3642 1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8539 3.1194 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5284 2.1376 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5382 2.5436 -0.1327 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 8 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 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 2 0 26 28 1 0 24 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 9 50 1 0 9 51 1 0 9 52 1 0 10 53 1 0 10 54 1 0 11 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 17 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 31 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 33 88 1 0 M CHG 2 28 -1 30 1 M END