HMDB0030487 RDKit 3D Artonol A 46 49 0 0 0 0 0 0 0 0999 V2000 5.8953 1.0069 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 -0.1130 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 -1.1647 1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 -0.3900 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 -0.7145 1.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -0.4087 1.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3869 -0.5202 3.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0945 0.0140 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 -0.1333 0.7839 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9131 0.2580 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 0.0621 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1024 0.4495 -1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 1.0438 -2.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.2592 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6621 1.8514 -3.5479 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3587 0.8532 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 1.0373 -1.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 1.5680 -2.3291 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 0.6019 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 0.7683 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 0.2249 -1.1371 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0751 -0.3678 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 0.4805 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -1.6617 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1553 -0.7627 1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 -0.5654 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2761 1.7783 -0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 1.2115 0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8883 -2.1793 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2428 -1.0259 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1273 -1.1453 2.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 -1.2651 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9761 -0.2963 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -1.8360 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 1.3500 -3.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 2.0795 -3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3711 1.6872 0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 0.9615 -1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7221 -0.1852 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7264 1.2815 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8818 0.8610 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2004 -1.4480 -1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8829 -2.3594 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4358 -2.0391 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6029 -1.2306 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2155 -0.8775 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 12 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 2 0 20 4 1 0 19 8 2 0 16 10 1 0 26 11 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 13 35 1 0 15 36 1 0 20 37 1 0 20 38 1 0 23 39 1 0 23 40 1 0 23 41 1 0 24 42 1 0 24 43 1 0 24 44 1 0 25 45 1 0 26 46 1 0 M END