HMDB0036579 RDKit 3D Carotol 42 43 0 0 0 0 0 0 0 0999 V2000 3.5704 1.7384 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 0.6317 0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -0.3027 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 -1.4951 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4931 -1.3384 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -2.0934 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 -1.9785 -1.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -1.3340 -1.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 0.1351 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4846 0.7470 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 0.2087 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 2.2596 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.0807 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 0.7403 -1.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 0.8046 0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4646 0.6615 1.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5881 1.3014 0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3929 2.2863 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 2.3674 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6564 -0.1204 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -2.3324 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 -1.7765 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -1.5500 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -2.4972 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.0168 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3024 -3.0708 -1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 -1.6274 -2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 -1.4439 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 -1.7665 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 0.6014 -2.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2934 0.5976 -1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1371 0.0418 0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 -0.7625 1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9439 0.9936 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 2.6731 -0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3272 2.7532 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 2.5164 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 0.8210 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0115 1.8869 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 0.4820 1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 1.4678 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5409 -0.2906 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 2 1 0 13 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 6 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 M END