HMDB0241476 RDKit 3D (6E)-9-Hydroxyhexadecenoylcarnitine 72 71 0 0 0 0 0 0 0 0999 V2000 9.8114 -0.1131 1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5482 0.6820 1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4853 -0.3465 1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.2511 0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -0.5088 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 0.2229 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4426 -0.7709 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 -0.1287 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 0.7841 1.3297 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 0.6185 -0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5253 -0.2534 -2.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -0.4556 -2.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 0.1453 -2.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 -0.9676 -2.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 -0.4039 -2.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2894 0.4337 -0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6637 0.9791 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2765 1.5907 -1.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3046 0.8256 0.6758 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6013 1.3247 0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5402 2.4156 2.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8686 2.9729 2.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6868 2.5222 3.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2623 4.1237 1.6032 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.6041 0.3009 1.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8781 -0.7493 0.4147 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.6591 -0.5107 -0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 -1.9874 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3162 -1.0703 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8577 -0.4066 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6862 0.5588 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8383 -1.0189 1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2741 1.3602 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7886 1.2712 2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9087 -0.9873 2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5526 0.0970 2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2846 -1.6682 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6073 -2.0910 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6662 -1.2641 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 0.1486 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 1.0061 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2727 0.6715 -1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7367 -1.2903 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -1.4576 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 -0.8758 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 0.3677 2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 1.4407 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7115 1.1222 -0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4364 -0.7998 -2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 -1.1478 -3.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2346 0.7399 -3.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 0.8498 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 -1.6000 -3.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -1.5657 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9403 -1.2940 -1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6175 0.2059 -2.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 -0.0786 0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6627 1.3442 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9454 1.8334 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0502 1.9874 2.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8752 3.2502 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5633 0.8320 1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2833 -0.1576 2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4042 -1.1047 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 -0.9084 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8425 0.5313 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 -1.9853 1.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1771 -2.0184 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8098 -2.8733 0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6633 -0.8779 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8505 -0.4454 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4262 -2.1260 0.2276 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 2 3 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 20 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 25 62 1 0 25 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 29 72 1 0 M CHG 2 24 -1 26 1 M END