HMDB0241769 RDKit 3D 3-Hydroxynona-4,7-dienoylcarnitine 49 48 0 0 0 0 0 0 0 0999 V2000 7.5592 -0.5755 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -0.3251 1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9498 0.4636 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3322 1.0940 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9357 0.6379 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 1.5060 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 1.1112 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 1.8976 -0.9824 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 -0.3407 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 -0.8156 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2416 -1.9975 -0.7839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 0.0046 -0.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4161 -0.3729 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9654 0.4450 -1.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 0.0750 -2.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -1.1260 -3.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 1.0307 -3.4273 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1280 -0.2222 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4947 -0.5665 0.9837 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.8242 -0.8610 2.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9065 -1.7204 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3041 0.6143 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8929 0.3882 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7957 -1.0175 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4475 -1.2348 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4601 -0.7949 2.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 0.6489 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8751 0.7943 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4175 2.2054 0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -0.4135 -0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 2.5802 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 1.3270 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 2.8519 -0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0439 -0.5385 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -0.9316 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4154 -1.4452 -0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0455 0.3098 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8132 1.5283 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5916 -0.8654 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 0.8658 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2645 -1.7870 2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5744 -0.0242 3.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9051 -1.1334 2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6591 -2.3579 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5147 -1.3319 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1194 -2.4048 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0158 0.3748 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9196 0.9691 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6281 1.4805 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 1 0 7 9 1 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 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 18 39 1 0 18 40 1 0 20 41 1 0 20 42 1 0 20 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 M CHG 2 17 -1 19 1 M END