HMDB0032090 RDKit 3D 12-Oxo-2,3-dinor-10,15-phytodienoic acid 43 43 0 0 0 0 0 0 0 0999 V2000 5.5397 1.4139 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5363 1.1319 1.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 0.5692 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1262 1.2115 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 0.7013 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 -0.4870 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -0.3044 -1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 0.5538 -1.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5052 -1.5214 -2.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 -1.9153 -1.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -0.9896 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1374 -1.6479 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -2.1613 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -1.3348 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0332 -0.1607 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 0.9443 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8729 2.1148 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8373 2.5129 -0.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 2.6110 1.6227 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4944 1.7583 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 0.5508 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0913 2.2155 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 0.4393 2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 2.0667 2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -0.3553 0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 2.1613 1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 0.3694 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 1.5282 0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -1.3063 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 -2.0330 -2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 -2.7834 -2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6922 -0.0793 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 -2.5778 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -1.0772 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 -2.6219 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 -3.1222 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 -0.9395 -2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 -2.0576 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7743 0.2247 -1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6674 -0.4463 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6602 1.4060 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 0.6827 0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1131 2.7547 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 11 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 19 43 1 0 M END