HMDB0033915 RDKit 3D Aloe emodin w-acetate 35 37 0 0 0 0 0 0 0 0999 V2000 5.1075 1.6126 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 0.4708 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 0.4985 1.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1603 -0.6292 -0.4821 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -1.7640 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -1.4735 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -2.4900 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2188 -2.3438 0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -3.3516 1.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7785 -1.1239 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.0831 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -0.2694 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 1.1902 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 2.1458 -1.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 1.3614 -0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 2.5695 -0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 2.7678 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8215 1.7634 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2417 0.5295 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1035 -0.4123 0.6404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 0.3315 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 -0.9177 0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 -1.8783 0.8127 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 1.2711 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 2.1735 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5427 2.3023 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 -2.3017 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4907 -2.4814 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 -3.4569 0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 -4.2278 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9713 0.5255 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0786 3.3681 -1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5205 3.7198 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8948 1.9133 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9382 -1.3102 0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 12 6 1 0 21 15 1 0 22 10 1 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 9 30 1 0 12 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 20 35 1 0 M END