HMDB0240559 RDKit 3D Sulforaphane-cysteine-glycine 42 41 0 0 0 0 0 0 0 0999 V2000 -7.9550 -1.2803 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4932 -0.3467 1.4239 S 0 0 0 0 0 4 0 0 0 0 0 0 -6.8492 0.9667 2.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5306 -0.0741 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 0.7211 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4876 0.9565 -0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2575 1.7503 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 1.0642 0.4155 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 0.5975 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 0.8012 -1.6043 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6595 -0.2500 1.2469 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 -0.7599 0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 0.3735 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 1.2655 -0.4903 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5794 -0.1298 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 0.8378 -0.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -1.3784 -0.1121 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1376 -1.7783 -0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1691 -1.5679 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 -1.1028 1.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4737 -1.9218 0.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7359 -2.0344 0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4357 -1.7569 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7036 -0.5905 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 -1.0346 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0876 0.5516 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6729 0.1901 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6373 1.7242 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0946 1.6307 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 0.0413 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6216 2.6806 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 1.9545 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 2.1979 -1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 -1.4391 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7359 -1.4030 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 0.8761 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 1.3722 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4642 2.1872 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6516 1.2129 -1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4818 -1.1489 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1475 -2.8409 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0515 -1.3569 -0.4192 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 13 15 1 0 15 16 1 0 15 17 2 3 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 10 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 21 42 1 0 M END