HMDB0013325 RDKit 3D 2-trans,4-cis-Decadienoylcarnitine 51 50 0 0 0 0 0 0 0 0999 V2000 7.1278 2.2412 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5563 1.3016 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 0.1334 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3173 -0.7625 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3139 -0.0933 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8899 -1.1127 -1.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6554 -1.4990 -2.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -0.9353 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.3586 -1.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -0.7655 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4136 0.1150 0.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0236 -1.1483 -0.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9939 -0.5444 0.2346 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7260 -1.6433 0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -2.4870 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 -2.2847 1.8426 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -3.5616 2.5002 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.9585 0.2000 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0332 0.8653 -0.0402 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.8922 1.2447 1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 2.0864 -0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2099 -0.0116 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4151 2.4417 2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3218 3.2101 0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0803 1.8098 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4201 0.9215 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 1.8787 -0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 0.4318 1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 -0.4778 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 -1.6507 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1665 -1.1459 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 0.3565 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7957 0.7459 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6672 -1.5570 -2.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 -2.2763 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7264 -0.1856 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -2.1081 -2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 0.1444 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2531 -2.3246 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -1.2495 1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 -0.5011 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3704 0.9588 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 1.0665 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0484 2.3640 1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 0.7939 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 1.7902 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 2.8246 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3316 2.4721 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9834 -0.9476 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0077 0.5285 -0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5839 -0.2944 0.8785 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 13 38 1 1 14 39 1 0 14 40 1 0 18 41 1 0 18 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 M CHG 2 17 -1 19 1 M END