HMDB0035721 RDKit 3D (S)-Batatic acid 26 26 0 0 0 0 0 0 0 0999 V2000 -1.7817 0.8698 1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 -0.1125 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0948 -0.2194 -1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3078 -0.5817 -0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 0.3446 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 1.5128 0.0381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -0.0703 0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 0.7292 1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4363 -0.0214 1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2449 -1.2007 0.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0835 -1.2826 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 0.2018 -0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5784 0.5095 -1.8106 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5317 0.1595 0.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 0.8326 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 0.5453 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 1.9191 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 -1.1493 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5579 -0.8169 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 0.8285 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -1.6105 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7677 -0.8124 -1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 1.7684 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 0.3826 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 -2.1294 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2053 -0.5966 0.1231 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 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 2 12 1 0 12 13 2 0 12 14 1 0 11 7 2 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 14 26 1 0 M END