HMDB0002392 RDKit 3D Maslinic acid 82 86 0 0 0 0 0 0 0 0999 V2000 -5.6347 2.6327 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6568 1.7811 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2963 2.7065 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4641 0.6758 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6422 -0.4852 1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 -0.9998 -0.0096 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8288 -1.7929 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9752 -1.9588 -0.4766 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 -2.2752 -2.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -2.0999 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -1.5283 1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 -0.5109 0.5746 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9821 0.7480 1.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -0.2429 -0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 -0.2434 -1.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 -0.5052 -2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1393 -0.1273 -0.6819 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6220 -0.1009 -0.7611 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2235 -1.0825 -1.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 1.2753 -1.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4217 1.5874 -1.3495 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5165 2.9923 -1.5376 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 1.2365 -0.1440 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5467 0.9973 -0.4987 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 0.0348 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 0.3402 2.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -1.2187 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 -0.0877 0.5745 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6978 -1.1625 1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.7340 1.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.9734 0.3712 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5930 -2.4518 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0902 -0.0081 -0.8275 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4438 1.4269 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3723 3.0965 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1055 3.3665 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2239 1.8996 -1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4066 3.2845 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1838 3.3482 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1289 2.0664 2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 0.2768 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0843 1.0117 1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0713 -0.0976 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 -1.3125 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -3.1627 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 -2.5755 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3998 -2.8803 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -2.3781 1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -1.1078 2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4742 1.6016 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 0.5374 2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0315 0.9843 1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 -0.0308 -2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 -1.6239 -2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9324 0.0550 -2.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 0.9282 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 -0.6492 -2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5168 -1.2206 -2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5926 -2.0071 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 1.2132 -2.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 2.0735 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9801 1.1925 -2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 3.2601 -2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 2.1465 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5275 0.5628 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2571 0.9884 2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 0.8886 2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1742 -0.6102 2.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4442 -1.2549 0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 -1.3435 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9022 -2.0881 0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 0.8864 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1714 -1.0386 2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 -2.1750 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -1.3256 2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3353 0.3592 1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 -2.7513 -0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 -2.8903 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6258 -3.0258 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4217 -0.2695 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5846 2.0588 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5829 1.8867 -1.7168 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 6 7 8 2 0 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 1 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 6 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 6 14 33 1 0 33 34 1 0 34 2 1 0 33 6 1 0 31 12 1 0 31 17 1 0 28 18 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 15 53 1 0 16 54 1 0 16 55 1 0 17 56 1 1 19 57 1 0 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 21 62 1 6 22 63 1 0 23 64 1 1 24 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 27 70 1 0 27 71 1 0 28 72 1 1 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 32 77 1 0 32 78 1 0 32 79 1 0 33 80 1 6 34 81 1 0 34 82 1 0 M END