HMDB0039420 RDKit 3D 28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide] 142149 0 0 0 0 0 0 0 0999 V2000 9.3604 -5.4918 -2.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -4.6071 -3.0921 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4221 -4.2278 -2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 -4.6940 -0.9396 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 -3.2706 -2.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5098 -2.9330 -1.4206 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5353 -1.5008 -1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6663 -1.3357 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 -0.7265 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4002 -1.7756 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -1.2515 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 -0.2872 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -1.0905 1.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7892 0.8548 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 1.5148 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 1.7330 -0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 1.3680 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 2.6055 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4989 0.2084 1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5371 -0.9128 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 -0.2882 1.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 0.7738 0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5142 1.4027 1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 0.5244 2.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6453 1.2844 2.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6942 0.2797 2.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2719 2.0608 3.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2406 2.2108 1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2328 3.0207 0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1475 2.1181 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8162 1.3366 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4428 1.4752 -2.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8408 0.4339 -0.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4135 -0.2738 -1.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3237 -1.6132 -1.5573 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9078 -1.9012 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6417 -3.3385 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3000 -3.6178 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4282 -1.7992 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0087 -2.0254 0.7623 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8165 -0.4727 -1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1930 0.4205 -0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8557 0.1224 -1.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2136 -0.3080 -3.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1581 3.0795 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 2.5684 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 1.2195 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 0.2166 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 0.4837 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8599 1.6421 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 0.5150 1.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 -1.1763 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2751 -0.0467 -0.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0669 -0.2830 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3563 0.2164 0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2450 1.5082 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 2.4774 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8629 3.7813 0.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5086 2.0213 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1105 2.7888 2.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6503 0.5736 2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6562 0.6098 3.0323 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7581 -1.2691 -2.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0011 -1.8451 -1.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9698 -2.1319 -3.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -2.6597 -4.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9935 -6.5439 -2.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9601 -5.4991 -3.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0312 -5.2029 -2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6828 -3.8393 -3.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 -1.0371 -2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 -0.5162 -1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 -2.4091 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -2.5078 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 -2.1421 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6629 -0.8617 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -1.3612 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 -2.0809 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 -0.5894 2.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.6228 1.2681 H 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 -7.9669 1.7711 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6888 3.6539 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7353 3.6159 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8884 0.0284 -2.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6299 -1.2279 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1593 -4.0274 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1189 -3.4359 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9945 -4.1911 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7673 -2.6131 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6922 -2.7151 0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7871 -0.6461 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6621 -0.0776 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9849 1.2357 -1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4511 0.4877 -3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6763 3.5461 -1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0875 3.9462 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7541 2.5468 -1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 3.3836 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 -0.5351 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -0.3266 -1.6822 H 0 0 0 0 0 0 0 0 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