HMDB0241198 RDKit 3D Undeca-2,4,6-trienoylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 8.6367 1.3698 0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0598 0.5810 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0668 -0.4117 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 0.2996 0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 1.2886 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 1.0894 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 0.8712 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 -0.2282 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8131 -0.6278 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3695 -0.9815 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 -0.3441 -0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2437 0.7148 -1.2422 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 -0.8490 -0.6313 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -0.5746 -1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0743 -1.4378 -2.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3835 -1.2718 -3.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6864 -0.2756 -3.8211 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4232 -2.2104 -2.9368 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1230 -0.8371 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2533 -0.1335 0.9086 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.3129 -0.8661 1.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -0.1339 1.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7078 1.2211 0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0817 2.3150 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 1.6452 0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5457 0.7363 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 1.2541 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8733 -0.0223 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6503 -1.0335 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6271 -1.1241 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 -0.4393 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 0.8482 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 2.0401 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 2.2319 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9735 1.4426 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9328 -0.7526 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -1.6741 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7397 -1.8876 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9637 0.4409 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 -1.0643 -3.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -2.4490 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1176 -1.9495 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0251 -0.6367 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2673 -0.8208 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2757 -0.4918 2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9477 -1.9201 1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 -1.2376 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3938 0.2074 2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 0.4192 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9062 1.9709 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5224 1.3879 1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1926 1.4734 -0.1707 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 2 3 6 7 1 0 7 8 2 3 8 9 1 0 9 10 2 3 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 19 42 1 0 19 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 M CHG 2 18 -1 20 1 M END