HMDB0034511 RDKit 3D Oleanolic aldehyde 80 84 0 0 0 0 0 0 0 0999 V2000 5.0574 0.0450 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6887 -0.4111 -1.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 -1.8721 -1.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 0.4258 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6063 1.3895 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6336 0.5392 0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 -0.3231 1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7409 -1.5166 1.5348 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 1.4042 1.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 1.0228 2.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 0.1307 1.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0309 -1.2687 1.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4163 0.4158 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 1.1811 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 1.8023 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2477 0.6684 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 0.7821 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 1.8992 0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1402 0.9339 -1.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 -0.3748 -2.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6414 -0.9508 -1.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8357 -2.1960 -2.2226 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6235 -0.9262 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7471 -0.1358 0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8636 -2.3866 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 -0.5927 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 -0.8764 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 -1.0050 1.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 0.3083 1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 1.2443 2.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7811 -0.1794 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -0.0274 -1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 -0.7815 -3.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 0.2973 -3.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 0.9074 -3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 -2.4699 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -2.1183 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 -2.3321 -2.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 -0.2397 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 1.0212 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1092 2.1350 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2659 1.8945 0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 0.1330 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9427 2.4590 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 1.5167 2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 0.5492 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 2.0097 2.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -2.0798 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1058 -1.4959 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6912 -1.2248 2.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 1.4138 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 2.6414 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8429 2.2884 -1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0074 -0.2260 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1888 2.3744 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 2.7331 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8608 1.6588 1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1602 1.4321 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 1.5455 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -0.0729 -3.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 -1.0419 -2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4747 -0.2785 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3169 -2.3617 -3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6986 -0.7450 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9853 0.7981 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5973 0.0141 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 -2.4540 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6083 -2.8314 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 -2.9392 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 -1.3050 -0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4178 -0.2722 2.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 -1.9340 1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2489 -1.7639 0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2431 -1.3567 2.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 2.3010 2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 1.0319 3.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3956 0.9624 3.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 -1.2648 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 -0.6777 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1767 0.9990 -1.9005 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 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 13 31 1 0 31 32 1 0 32 2 1 0 31 6 1 0 29 11 1 0 29 16 1 0 26 17 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 7 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 12 48 1 0 12 49 1 0 12 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 18 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 22 63 1 0 24 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 25 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 28 73 1 0 28 74 1 0 30 75 1 0 30 76 1 0 30 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 M END