HMDB0257167 RDKit 3D Resorufin benzyl ether 36 39 0 0 0 0 0 0 0 0999 V2000 -7.3907 0.2482 -0.7182 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2048 0.5709 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8982 1.8721 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 2.2567 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 1.3526 0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3319 1.7209 0.6865 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3714 0.7480 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 1.0496 1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9184 0.0899 1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 -1.2177 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 -2.2340 0.7109 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -2.0556 1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 -1.1050 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 -0.5838 0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5284 0.2969 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 0.6805 -1.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 0.1598 -1.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0886 -0.7212 -1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 -1.4961 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 -0.5518 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9221 -0.9131 0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 -0.0293 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1856 -0.3564 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6948 2.6066 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3712 3.2882 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 2.0858 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 0.3391 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 -3.0136 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 -1.7141 2.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 -0.8768 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 0.7071 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4446 1.3603 -2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 0.4594 -2.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1377 -1.1072 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 -2.5305 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4214 -1.3867 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 10 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 2 1 0 22 5 1 0 20 7 1 0 18 13 1 0 3 24 1 0 4 25 1 0 8 26 1 0 9 27 1 0 12 28 1 0 12 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 23 36 1 0 M END