HMDB0037628 RDKit 3D Phenethyl tiglate 31 31 0 0 0 0 0 0 0 0999 V2000 4.0888 1.3913 0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 0.0284 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 -0.6294 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5612 -1.9986 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -0.0479 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 1.0912 0.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.8161 -0.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -0.4654 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9801 -0.2247 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4245 0.1494 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3674 -0.8530 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7189 -0.5622 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1622 0.7374 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2011 1.7242 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 1.4436 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 2.1041 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0812 1.7842 1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4308 1.4144 1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 -0.4208 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6286 -2.1544 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 -2.1853 -1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 -2.7129 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5288 0.4794 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 -1.3244 -1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 0.5611 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9165 -1.1998 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -1.8998 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4755 -1.3572 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2262 0.9460 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5237 2.7625 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 2.2346 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 4 20 1 0 4 21 1 0 4 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 M END