HMDB0240706 RDKit 3D Ethylparaben sufate 26 26 0 0 0 0 0 0 0 0999 V2000 -4.8592 -0.0349 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9885 1.1372 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 0.9304 -0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8509 -0.0470 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 -0.8366 -1.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 -0.2132 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 0.6112 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 0.3759 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 -0.6428 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -0.8660 0.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 -0.1470 -0.5932 S 0 0 0 0 0 6 0 0 0 0 0 0 6.0477 -1.0597 -0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4676 -0.0510 -2.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2468 1.3610 -0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 -1.4777 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 -1.2290 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8017 0.3438 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2122 -0.5553 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4024 -0.7274 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2277 1.4585 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 2.0150 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 1.3980 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1814 0.9961 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2218 1.4372 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -2.2851 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -1.8914 -1.6308 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 2 0 4 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 11 13 2 0 11 14 1 0 9 15 1 0 15 16 2 0 16 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 7 22 1 0 8 23 1 0 14 24 1 0 15 25 1 0 16 26 1 0 M END