HMDB0001451 RDKit 3D (R)-Lipoic acid 26 26 0 0 0 0 0 0 0 0999 V2000 3.4270 -0.3763 -1.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 -0.5691 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4148 -1.2350 0.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 -0.1546 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 0.4575 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5748 -0.5409 -0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 0.0606 -1.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 0.5141 -0.7002 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2945 -0.5100 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 0.2725 1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4493 0.9129 -0.0203 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 1.1240 -1.6813 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 -1.0602 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5472 0.5136 1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 -1.0876 1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 1.3925 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3369 0.8126 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 -1.3998 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -0.9652 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 -0.5715 -2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 0.9828 -2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 1.3671 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 -1.2312 0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0241 -1.0940 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 1.0924 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5944 -0.3788 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 1 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 M END