HMDB0241230 RDKit 3D Dodec-6-enedioylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 -6.8502 0.9860 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 0.0321 -0.0405 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.2091 -1.0818 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2512 0.6459 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0302 -0.5090 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 0.1536 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 1.6005 0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2758 2.0541 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2342 1.4590 0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1098 3.1358 -0.9584 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.6797 -0.5448 0.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6855 -1.2066 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 -1.1363 -1.3485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5925 -1.9097 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 -2.5002 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -1.5643 -1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -0.4981 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 -1.0535 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 -0.8354 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 -0.0113 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 1.1380 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7761 0.5931 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5976 1.7446 0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7022 1.2776 1.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4819 0.9937 2.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9644 1.1561 1.2266 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6166 0.4879 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3648 1.8129 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0754 1.3589 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9853 -1.7119 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1023 -1.6268 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2520 -0.6983 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3972 0.3427 -1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 1.7707 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1615 0.3502 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9492 -1.5701 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1078 -0.6410 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5937 0.0403 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6128 1.7760 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3509 2.2657 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 -2.7347 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 -1.1474 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0731 -3.1474 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 -3.2210 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 -1.0819 -2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7622 -2.1934 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2567 0.1506 0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 0.1857 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 -1.7149 1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9654 -1.3212 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -0.6742 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1412 0.3065 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 1.7788 -1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9871 1.7005 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3108 0.0773 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4054 -0.0734 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8788 2.3906 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9931 2.3515 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3414 0.2914 0.8227 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 6 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 2 3 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 23 57 1 0 23 58 1 0 26 59 1 0 M CHG 2 2 1 10 -1 M END