HMDB0035099 RDKit 3D gamma-Crocetin 54 53 0 0 0 0 0 0 0 0999 V2000 7.5937 -0.9672 3.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8131 -1.4354 2.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2858 -2.3449 1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5012 -2.7199 1.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6088 -2.9016 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 -3.8907 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3963 -2.6598 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5465 -1.7405 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2962 -1.4978 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 -0.5502 0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 0.1047 2.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 -0.2527 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 0.6574 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 0.8658 0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7735 1.7867 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 1.9875 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 2.9493 1.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5148 1.3249 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7579 1.5503 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2673 0.8629 -1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4859 1.0636 -2.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3465 2.0135 -1.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9293 0.3608 -3.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0877 0.5521 -3.7833 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1041 -0.5131 -4.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5252 -1.2089 -5.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0121 -1.0133 4.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5003 -1.6013 3.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8907 0.0894 3.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8088 -4.6115 0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 -3.3830 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 -4.4663 -1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -3.1489 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -1.2377 1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 -1.9827 -0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2966 -0.6725 2.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 0.5536 1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4389 0.8880 2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -0.7736 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6157 1.2129 2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1258 0.3037 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 2.3276 2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 3.7060 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7153 2.4506 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2741 3.4790 2.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9439 0.6346 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 2.2432 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 0.1838 -2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4102 1.9608 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0410 3.0662 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3413 1.7633 -0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2395 -0.7042 -6.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0187 -2.2138 -5.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6411 -1.3345 -5.1718 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 3 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 6 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 26 52 1 0 26 53 1 0 26 54 1 0 M END