HMDB0240724 RDKit 3D Suberoyl-L-carnitine 49 48 0 0 0 0 0 0 0 0999 V2000 -3.2666 -2.4253 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -1.1507 -0.5604 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.9049 -0.7743 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 -1.3788 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -0.2014 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0332 1.2356 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 2.1050 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 3.5422 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2709 3.8958 -0.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 4.4990 0.1737 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3483 -0.4647 -0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 -0.7382 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -0.7294 1.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0919 -1.0103 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 -1.2087 0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 0.0334 1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6723 -0.0983 1.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0095 -0.2852 1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 0.8376 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 1.2120 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 0.3762 -1.5085 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4123 2.5386 -0.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -3.2758 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 -2.5483 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -2.6205 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1882 0.1683 -0.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5931 -1.6238 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -0.7097 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5969 -2.0697 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9647 -0.4765 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8463 -1.9415 -2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -0.2786 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 1.4410 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2689 1.4779 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 1.8994 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5278 1.8874 1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0493 -1.9034 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.1646 -1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -2.0605 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -1.5041 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 0.8920 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.2587 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 0.7900 2.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 -0.9825 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 -1.2423 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7822 -0.5036 2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 0.6066 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6576 1.7179 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4546 2.9562 -1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 5 11 1 0 11 12 1 0 12 13 2 0 12 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 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 22 49 1 0 M CHG 2 2 1 10 -1 M END