HMDB0062513 RDKit 3D omega-COOH-tetranor-LTE3 39 40 0 0 0 0 0 0 0 0999 V2000 -3.9202 -3.1552 -1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9985 -1.9702 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -1.8482 0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -0.6654 0.3729 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 -0.8268 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 -1.0829 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 -1.2378 0.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0054 -0.3599 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 0.5662 0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5529 0.6053 2.6026 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4724 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 1.4465 -1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7898 2.5742 -1.8885 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 0.5388 -1.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 -0.3902 -1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 -1.5147 -2.3233 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0247 0.5421 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3116 0.4762 1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 1.8223 0.8932 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1405 2.9622 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 4.0271 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0913 3.5708 0.9961 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 2.2261 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3637 -4.0192 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 -3.4205 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8548 -2.9599 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -1.0470 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1999 -2.0812 -1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 -1.7157 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 -2.7618 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.0827 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 -1.8005 -0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8186 -0.2567 1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 -2.0515 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 2.1904 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1209 0.5198 -2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 2.9694 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 5.0541 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 1.6843 0.4654 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 4 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 15 8 1 0 23 19 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 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 11 35 1 0 14 36 1 0 20 37 1 0 21 38 1 0 23 39 1 0 M END