HMDB0035267 RDKit 3D Methyl 3b-hydroxy-13(18)-oleanen-28-oate 89 93 0 0 0 0 0 0 0 0999 V2000 -4.0020 3.9760 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5868 2.7097 0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 1.7179 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7106 2.0242 0.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0822 0.3651 -0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3314 -0.4604 -0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9513 -0.8403 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9672 -1.3355 1.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2758 -2.6045 1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6225 -1.6243 2.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9224 -0.2333 1.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1997 -0.1908 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 -0.6174 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -1.1526 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.0823 1.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.2065 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 0.4009 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 1.8448 0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7265 -0.3771 1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1597 -0.7214 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 0.3191 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2518 -0.0694 0.5467 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2303 0.7920 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6452 0.3029 0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 1.8962 1.5342 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 0.2273 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 -1.0738 -1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 1.3282 -1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 0.3676 -0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -0.7129 -1.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.3201 -2.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.1313 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 1.5757 -1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2733 -0.6774 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 -2.1742 -1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2036 -0.3369 -2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 0.5844 -1.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9543 4.7149 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3932 4.2701 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0402 3.8351 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0 2.5917 0.1776 2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 -1.3519 1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6366 -0.7423 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3287 -1.7490 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 1.2994 1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6450 -0.7137 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2773 0.9868 1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8829 0.2606 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9394 -1.1682 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3546 -1.9600 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8835 -1.0593 -2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7077 1.4103 -2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0745 2.2439 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1682 0.9868 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 1.3238 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 -1.6584 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8826 -0.7184 -2.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -1.1586 -2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9686 0.5088 -2.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 1.6991 -2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5255 2.2722 -1.1796 H 0 0 0 0 0 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18 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 24 66 1 0 24 67 1 0 24 68 1 0 27 69 1 0 27 70 1 0 27 71 1 0 28 72 1 0 28 73 1 0 28 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 31 78 1 0 31 79 1 0 33 80 1 0 33 81 1 0 33 82 1 0 35 83 1 0 35 84 1 0 35 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 M END