HMDB0035260 RDKit 3D delta-Maslinic acid 82 86 0 0 0 0 0 0 0 0999 V2000 -5.6367 -0.1714 -1.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1782 -0.3008 -1.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -1.2241 -2.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 0.9929 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 1.8969 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2802 1.2355 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5388 1.2678 1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6063 1.7731 1.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 0.7260 3.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2237 1.9731 1.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 1.5406 1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 0.0481 1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9424 0.0060 3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 -0.7113 1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -0.1590 0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9038 -0.9249 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 -2.0860 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1948 -1.8259 -0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -1.2909 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0716 -0.8369 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -2.1378 -1.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 0.1432 -1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 1.1338 -2.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 0.8118 -3.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7006 1.4214 -1.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 1.9602 -2.3302 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 0.2451 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3655 0.8050 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -0.5567 -1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 -0.4441 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0471 0.3983 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 0.8198 1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.4125 1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 -1.1363 2.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1034 0.7452 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7368 -0.1228 -2.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1408 -1.0854 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 -0.9942 -2.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6408 -2.2546 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 -1.1608 -3.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 0.7676 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8023 1.5506 -2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8429 2.7168 -0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5771 2.3712 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9869 1.2083 3.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3235 1.9349 2.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 3.0544 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 2.0809 2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 1.8085 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5117 -0.8072 3.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -0.0184 3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 0.9548 3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8537 -0.7408 0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7974 -2.0028 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 -2.7007 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 -2.6729 0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 -2.8103 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 -1.1759 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 -2.2516 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -3.0241 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 -2.1912 -2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 -2.2126 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 0.6426 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.3641 -2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 2.1084 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 -0.0856 -3.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 2.2382 -0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4813 2.1582 -1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 0.3132 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 0.5964 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 1.9175 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 -0.0457 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 -1.5750 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 -0.5241 -2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7699 -1.3967 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 1.4085 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -0.0129 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6013 1.2393 2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3676 1.6159 0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2711 -1.5146 2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 -2.0543 2.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 -0.4542 3.5322 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 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 16 2 1 0 33 19 1 0 15 6 1 0 30 20 1 0 33 12 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 13 50 1 0 13 51 1 0 13 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 21 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 23 65 1 0 24 66 1 0 25 67 1 0 26 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 31 76 1 0 31 77 1 0 32 78 1 0 32 79 1 0 34 80 1 0 34 81 1 0 34 82 1 0 M END