HMDB0249101 RDKit 3D beta-Apopolygamatin 45 49 0 0 0 0 0 0 0 0999 V2000 -4.4101 -2.8126 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1092 -2.3189 -0.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7297 -1.0755 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 -0.1593 0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 1.0572 1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8318 1.3879 1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 0.4565 0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.7694 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 -1.7266 -0.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 -1.7702 -1.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5031 0.8148 0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 0.0561 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 0.4917 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7429 -0.1961 -2.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -1.3403 -1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -1.7857 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0525 -1.0793 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 -2.9256 -0.0249 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6495 -3.1479 -1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3004 -2.2028 -2.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 2.2805 0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 3.1364 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 4.4212 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 4.4037 0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 3.0568 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 2.6721 -0.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4177 2.7361 1.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 -3.9264 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9896 -2.4306 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9948 -2.5766 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6586 -0.4290 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 1.7816 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1998 -2.4836 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 -2.1101 -1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -0.8053 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 0.6250 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 1.3739 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 0.1274 -3.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 -1.4031 1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6833 -3.0214 -0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4364 -4.1523 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3534 5.2927 0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 4.4438 -0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 2.6111 2.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 3.4217 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 7 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 11 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 22 27 1 0 8 3 1 0 17 12 1 0 25 21 1 0 27 6 1 0 20 15 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 5 32 1 0 10 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 17 39 1 0 19 40 1 0 19 41 1 0 23 42 1 0 23 43 1 0 27 44 1 0 27 45 1 0 M END