HMDB0259383 RDKit 3D 2-Methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl... 40 41 0 0 0 0 0 0 0 0999 V2000 6.5929 0.3440 -1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1612 0.0368 -1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 -1.2585 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3686 0.9209 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 0.6300 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5673 0.6710 1.0633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 0.4435 1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2964 0.1569 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 -0.0798 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 -0.4067 0.2015 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 -0.0932 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 0.7436 1.6119 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3388 -0.5040 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 -1.5693 -1.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -1.5463 -2.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1254 -0.5105 -1.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 0.1324 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0523 1.3525 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 -0.0222 2.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 0.2719 3.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 0.5030 2.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 0.8646 4.0531 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 0.0141 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7955 1.4190 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 -0.2762 -2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -1.9237 -1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -1.1642 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1966 -1.7799 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 1.8929 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2783 1.3689 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 -0.3927 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 0.1046 -0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7518 -0.9384 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 -2.2981 -1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7187 -2.2271 -3.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2576 2.1204 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4545 1.0648 0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8597 1.8179 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 -0.2045 2.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4243 0.3216 4.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 9 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 7 1 0 17 13 2 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 8 32 1 0 10 33 1 0 14 34 1 0 15 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 M END