HMDB0036989 RDKit 3D Romucosine B 43 46 0 0 0 0 0 0 0 0999 V2000 5.0389 -1.3188 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 -0.9882 -0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 0.2449 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 1.0261 0.0553 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 0.7119 0.5864 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 2.0747 1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 2.8652 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 2.1779 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 2.9403 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 4.6687 -0.5019 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 2.3855 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2493 3.1486 -0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 0.9992 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6329 0.5199 -0.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 0.6321 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 0.2202 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 0.8305 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 0.0057 0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 -1.4030 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2492 -1.9723 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 -3.3466 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5022 -4.0058 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -3.2553 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6023 -1.8617 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3984 -1.2429 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 -0.8995 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.4441 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 -0.9815 -2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 2.4672 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 1.9905 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 3.9094 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 2.9051 -0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1389 2.7247 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4172 -0.1583 1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 0.5772 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4741 1.6144 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.0054 1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 -2.0404 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 -1.4698 -0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6004 -3.9608 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5038 -5.0861 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5585 -3.8004 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 -1.3987 -0.5134 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 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 18 5 1 0 25 20 1 0 17 8 1 0 25 16 1 0 1 26 1 0 1 27 1 0 1 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 12 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 24 43 1 0 M END