HMDB0029940 RDKit 3D Alginic acid 46 47 0 0 0 0 0 0 0 0999 V2000 -3.7510 -1.6870 -3.0641 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 -0.8638 -2.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 -0.5017 -3.2691 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1925 -0.2676 -1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 0.6148 -0.8713 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 0.1285 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 1.0474 0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9418 0.5683 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 1.2372 -0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0538 0.3230 -2.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 -0.4619 -2.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 0.2764 -2.5968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7229 1.9677 -0.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 1.2745 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8029 0.9214 -0.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 1.6465 -0.1607 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 0.1651 0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 -0.9828 0.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7581 0.5932 1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 -0.3425 2.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1505 0.0701 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 1.3760 1.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 -0.7389 1.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 -1.8131 2.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -1.3253 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1737 -2.0500 -0.4109 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.3604 0.3999 -3.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1361 0.3543 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -0.8701 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8354 -0.5138 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 2.0615 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 -0.6507 -2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1485 2.0072 0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 1.3930 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4011 3.0186 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8002 -0.0488 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8115 -1.5162 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 1.6010 1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 -1.1334 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 -0.3735 2.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 1.4038 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3308 -0.1280 1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9317 -2.5542 1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7441 -2.1374 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8785 -2.1468 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9232 -1.3418 -1.4297 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 2 0 10 12 1 0 9 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 6 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 4 1 0 19 8 1 0 3 27 1 0 4 28 1 0 6 29 1 0 8 30 1 0 9 31 1 0 12 32 1 0 14 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 26 46 1 0 M END