HMDB0060619 RDKit 3D Tazarotenic acid 40 42 0 0 0 0 0 0 0 0999 V2000 -4.3329 0.6015 1.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 -0.3782 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 -1.4222 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6257 -1.0870 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 -0.1435 -0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7477 1.4433 -1.2552 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9844 1.1960 -1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0595 1.8533 -1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 1.5890 -1.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3061 0.6780 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 0.4009 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 0.1488 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -0.1680 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 -0.1514 -1.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8867 -0.4515 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 -0.7767 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 -1.0977 0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 -1.3967 1.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6661 -1.1039 -0.3826 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4038 -0.7983 1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1142 -0.4943 1.1557 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 0.0321 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 0.2986 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4184 0.2176 2.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3857 0.7368 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8339 1.5978 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -0.9495 2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 -1.8929 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4674 -2.1938 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2554 -1.6998 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 -1.8089 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4871 0.0343 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 -0.6235 -1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3821 2.5438 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 2.1009 -2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2176 0.1055 -2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6086 -0.4438 -1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7104 -0.4093 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7084 -1.0505 2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 -0.6683 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 3 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 1 0 20 21 2 0 10 22 1 0 22 23 2 0 23 2 1 0 23 7 1 0 21 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 8 34 1 0 9 35 1 0 14 36 1 0 15 37 1 0 19 38 1 0 20 39 1 0 22 40 1 0 M END