HMDB0036960 RDKit 3D Urs-13(18)-en-3beta-yl acetate 86 90 0 0 0 0 0 0 0 0999 V2000 7.6622 2.4512 -1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5913 2.1389 -0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6865 2.5849 0.7072 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 1.3743 -0.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4428 1.0682 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 1.7619 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 0.9201 -1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 -0.3956 -0.9305 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1186 -1.3379 -2.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9043 -0.9383 0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 -0.8620 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9537 -1.6680 1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 -1.2561 0.3797 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2296 -2.5415 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -0.2612 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 1.1324 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 1.2738 -0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 0.1306 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3969 0.1449 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 1.2543 -0.7132 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4649 0.7818 -2.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3043 1.7556 0.0187 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2835 3.2716 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2653 1.1886 1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5129 -0.2924 1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -0.8976 0.5794 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8479 -1.7970 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6007 -1.7673 1.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -2.1476 1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 -0.8980 0.9697 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2776 -0.4817 2.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -0.4168 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 -0.8037 1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2483 -1.1063 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 3.4027 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1844 2.6113 -2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3715 1.6025 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7324 1.5540 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 2.0361 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5237 2.7105 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 0.6380 -2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 1.4381 -2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 -0.8661 -2.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 -1.5330 -2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 -2.2440 -1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -2.0563 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1307 0.1483 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8959 -1.4090 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 -2.7426 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5157 -1.6358 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -2.3899 -1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -2.9838 -0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -3.3700 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.4059 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3391 1.3805 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 1.9395 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 2.2443 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 1.2528 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4194 2.1211 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6193 0.2705 -2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6243 1.7204 -2.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 0.2369 -2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2392 1.4028 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 3.7085 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2974 3.6952 0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7496 3.5510 1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1238 1.6353 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2913 1.4226 1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6671 -0.7332 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4524 -0.4186 0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2608 -1.7499 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8137 -2.8787 -0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9487 -1.6180 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 -1.3853 2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1584 -2.7350 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 -2.5381 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8447 -2.8863 1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 0.1222 2.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 0.1231 2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 -1.3452 3.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8163 -1.8725 1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4861 -0.1487 2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9606 -0.5527 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 -1.2683 -1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1619 -0.4743 -0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -2.0910 -0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 6 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 6 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 1 10 32 1 0 32 33 1 0 32 34 1 0 32 5 1 0 15 8 1 0 30 18 1 0 30 13 1 0 26 19 1 0 1 35 1 0 1 36 1 0 1 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 9 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 14 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 20 59 1 6 21 60 1 0 21 61 1 0 21 62 1 0 22 63 1 6 23 64 1 0 23 65 1 0 23 66 1 0 24 67 1 0 24 68 1 0 25 69 1 0 25 70 1 0 27 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 28 75 1 0 29 76 1 0 29 77 1 0 31 78 1 0 31 79 1 0 31 80 1 0 33 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 34 86 1 0 M END