HMDB0035487 RDKit 3D (1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid 84 88 0 0 0 0 0 0 0 0999 V2000 5.5420 0.0856 2.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4085 -0.4353 1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 -1.6647 1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9433 0.5662 0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0024 1.6406 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 0.8542 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3873 0.0051 -1.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 -1.2228 -1.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 0.6928 -2.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 1.6658 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 0.6410 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 -0.0949 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 -1.5465 -1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7428 -0.0105 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0581 -0.1376 1.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3724 -0.3521 1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1436 -0.2911 0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5955 0.1152 0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7907 1.4363 1.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 -0.8932 1.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8015 -0.3623 3.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4655 -1.3106 1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5994 -2.6290 1.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3441 -0.3497 1.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6311 -0.8840 1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8346 -0.1001 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4347 -1.2663 -1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5239 1.1078 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2251 1.5354 -2.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3829 -0.2322 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 0.2356 -1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 -0.1782 -1.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 0.3072 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 1.8074 -0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1975 0.2040 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 -0.9525 0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5549 0.5243 2.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 0.7488 2.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.8245 3.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6164 -1.7634 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 -2.5644 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 -1.4514 1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7748 1.1179 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4185 0.1093 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 2.3257 0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5244 2.1661 -1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 1.6721 -2.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 2.4160 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 2.1714 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 1.1776 -2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -0.0694 -2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8335 -2.0414 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 -1.4500 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2127 -2.1781 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 -0.0622 2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 0.4265 2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4557 -1.3449 2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3397 -1.3922 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4264 2.1474 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 1.8823 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2854 1.4035 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4368 -1.8238 1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 -0.4123 3.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8797 -1.3742 2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4592 -2.9917 1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4014 0.5889 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1225 -0.7744 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9081 -2.2072 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 -1.3872 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4944 -1.0035 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5437 1.9833 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6259 0.8191 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2039 2.4993 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 -1.3607 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 -0.3065 -2.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9189 1.2857 -1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 0.1999 -2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3351 -1.3053 -1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 2.1852 -0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 2.0988 -1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 2.3452 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 0.9133 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 -1.8673 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6268 -1.2382 2.0111 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 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 26 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 14 35 1 0 35 36 1 0 36 2 1 0 35 6 1 0 33 12 1 0 33 17 1 0 30 18 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 13 52 1 0 13 53 1 0 13 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 0 19 59 1 0 19 60 1 0 19 61 1 0 20 62 1 0 21 63 1 0 22 64 1 0 23 65 1 0 24 66 1 0 25 67 1 0 27 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 34 79 1 0 34 80 1 0 34 81 1 0 35 82 1 0 36 83 1 0 36 84 1 0 M END