HMDB0036820 RDKit 3D beta-Ionol 36 36 0 0 0 0 0 0 0 0999 V2000 -0.2347 -2.8279 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0645 -1.5994 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4275 -0.4940 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 -0.5493 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 0.4655 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2531 0.3201 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 1.5034 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -0.8539 0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 0.7523 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 1.1588 1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 1.8624 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 0.6870 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3001 -0.6344 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 -1.7532 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 -3.6896 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4932 -2.5592 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 -3.0773 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5501 -1.4951 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 1.4169 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 0.3053 1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 2.0954 -0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 2.1884 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8152 1.2316 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6123 -1.0234 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 1.0232 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3261 0.4585 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 2.1925 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1813 1.4469 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4035 2.7570 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 2.1788 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1695 1.4084 0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8456 1.0970 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2761 -0.5993 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -0.8446 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8313 -2.6954 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 -1.8533 -1.7252 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 2 0 5 6 1 0 6 7 1 0 6 8 1 0 3 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 M END