HMDB0033778 RDKit 3D Elemicin 31 31 0 0 0 0 0 0 0 0999 V2000 4.0255 -0.2605 -1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 -1.0058 -1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5784 -0.7551 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1532 -0.4173 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7957 0.9124 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 1.3324 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 2.6375 0.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0503 3.7304 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 0.3515 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 0.7019 0.5884 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6423 0.7857 -0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.9824 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1425 -1.9509 0.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8825 -3.3203 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 -1.3484 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 0.5343 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 -0.4395 -2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 -1.7919 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1753 0.0670 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -1.6460 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 1.6818 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 3.8096 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7576 3.7798 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 4.6596 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0545 0.3731 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8473 1.8699 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 0.2007 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 -3.5154 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -3.8114 -0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7468 -3.8067 1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -2.3759 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 4 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 M END