HMDB0002511 RDKit 3D 3,4,5-Trimethoxycinnamic acid 31 31 0 0 0 0 0 0 0 0999 V2000 -1.4446 -3.2478 -1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9269 -1.9238 -0.9362 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 -0.8779 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 -1.0475 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0494 0.0209 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 -0.1134 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0711 -1.2784 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 -1.3752 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1244 -2.4623 0.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2123 -0.2431 0.7528 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 1.2791 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9065 1.4560 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 2.6867 0.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8734 3.8646 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6697 0.3672 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0285 0.5291 -0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 0.3442 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9809 -3.5586 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 -3.8689 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7216 -3.2312 -1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -2.0483 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0731 0.7683 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 -2.1843 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0756 0.5990 0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 2.1119 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 3.6555 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 4.2038 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 4.6460 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5726 -0.6227 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 0.4238 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5436 1.1275 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 16 17 1 0 15 3 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 10 24 1 0 11 25 1 0 14 26 1 0 14 27 1 0 14 28 1 0 17 29 1 0 17 30 1 0 17 31 1 0 M END