HMDB0032801 RDKit 3D 4-Hydroxybenzyl isothiocyanate rhamnoside 38 39 0 0 0 0 0 0 0 0999 V2000 -4.1618 0.5067 -1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0139 1.1598 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 0.6811 -1.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2461 -0.3421 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 0.1792 0.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 -0.1410 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -1.0484 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -1.3423 -1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -0.7022 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -1.0384 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 -0.3073 0.3694 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5275 0.8731 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 2.4738 0.0989 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 0.2132 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 0.4718 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 -1.1028 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4732 -2.1384 0.9945 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 -0.1144 1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -0.7799 2.2672 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 1.0799 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 2.2291 1.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7207 1.2037 -2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8477 0.0192 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7848 -0.3001 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 2.2569 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -1.0723 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -1.5846 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -2.0620 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 -0.9103 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 -2.1209 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 0.6878 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 1.1844 1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0328 -1.4492 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 -2.8902 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 0.2036 2.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 -1.7657 2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3694 1.0258 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0592 3.0363 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 2 0 9 14 1 0 14 15 2 0 4 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 2 1 0 15 6 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 4 26 1 0 7 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 M END