HMDB0038627 RDKit 3D Ethyl 3,4,5-trimethoxybenzoate 33 33 0 0 0 0 0 0 0 0999 V2000 4.9381 0.5544 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 -0.5425 0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 -0.6227 0.1833 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 0.3702 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 1.4574 0.9043 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 0.2585 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 1.2667 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6808 1.1449 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5552 2.1873 0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 3.3887 0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1867 -0.0401 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5451 -0.1447 -0.6476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4066 -0.6348 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2959 -1.0692 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8044 -2.2399 -1.1785 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -3.3526 -1.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0461 -0.9112 -0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 1.4943 0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 0.7871 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9767 0.2335 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 -0.4054 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7219 -1.5093 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 2.1893 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8536 4.1449 1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 3.2051 1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 3.7220 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 -0.2475 1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4589 -0.3164 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3081 -1.7377 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5343 -4.2600 -1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 -3.5200 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 -3.1058 -2.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 -1.7444 -0.5935 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 1 0 9 10 1 0 8 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 14 17 2 0 17 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 7 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 16 30 1 0 16 31 1 0 16 32 1 0 17 33 1 0 M END