HMDB0240560 RDKit 3D Sulforaphane-glutathione 58 57 0 0 0 0 0 0 0 0999 V2000 -9.0806 0.8222 0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9083 0.1864 1.8852 S 0 0 0 0 0 4 0 0 0 0 0 0 -8.0651 0.9590 3.1877 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2422 0.4166 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 -0.1141 2.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 0.0516 1.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6977 -0.7127 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -0.5191 -0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9331 0.4514 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 1.6883 -1.2621 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 0.5762 -1.1480 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6916 -0.8206 -0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 -0.6309 -0.8720 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5712 0.6174 -0.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 0.8280 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 2.1308 0.6693 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 -0.2224 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6523 -0.9890 1.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 -0.1121 2.7162 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8948 0.9237 2.8716 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2461 0.4741 2.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3753 1.7092 2.6526 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3478 -0.3355 2.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -0.5192 -2.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 -0.3349 -2.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 -0.5936 -3.0808 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1962 -0.4877 -4.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -1.7109 -5.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0126 -1.8648 -6.3051 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 -2.7167 -4.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9357 1.3199 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6172 1.5757 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4380 -0.0147 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2079 -0.1759 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0514 1.4812 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3282 0.4614 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4792 -1.1849 2.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5952 1.1264 1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1234 -0.3010 2.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 -1.7755 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 -0.2402 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 2.0438 -2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -1.7814 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -0.7666 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7525 -1.4880 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 2.8344 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6516 -0.9545 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7362 0.2716 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.5303 1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 -1.8340 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 -0.7848 3.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 1.7260 3.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 0.6172 3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3622 -1.1713 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7244 0.5576 -3.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1925 -0.3766 -4.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 0.3620 -4.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 -3.6768 -4.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 23 1 0 13 24 1 0 24 25 1 0 24 26 2 3 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 10 42 1 0 12 43 1 0 12 44 1 0 13 45 1 1 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 1 20 52 1 0 20 53 1 0 23 54 1 0 25 55 1 0 27 56 1 0 27 57 1 0 30 58 1 0 M END