HMDB0040955 RDKit 3D 9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate 59 60 0 0 0 0 0 0 0 0999 V2000 1.0284 2.3725 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 1.1460 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3017 -0.0302 -0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6873 0.0940 0.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 0.3829 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 0.5349 -2.0457 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0842 0.5122 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 0.8232 -1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 0.3536 0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5423 0.0390 1.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -1.3503 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 -1.4864 0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 -2.7822 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1717 -3.9763 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7791 -3.1516 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 -0.2851 1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 0.9783 1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 2.0473 1.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6978 1.3188 1.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7106 1.6325 2.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 0.1086 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 0.6742 -0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0144 -0.0694 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8888 0.8768 -1.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4493 2.0932 -1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8991 2.2721 -1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6939 3.1000 -1.3032 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 3.2423 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 2.4913 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 0.1607 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6716 1.5666 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0188 1.2159 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3221 -0.0804 -2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 0.4652 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0639 -0.9407 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8266 0.8829 1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1171 0.0264 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4617 -1.8543 -0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 -2.0070 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 -1.6314 1.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8791 -2.8592 1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 -4.9128 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -3.9675 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 -3.7731 2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7806 -2.6260 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0591 -4.2258 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 -2.7926 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5327 -0.3911 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 0.9370 2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 2.6092 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3434 2.8093 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2657 -0.5524 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0649 1.7198 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 -0.3131 -2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 -0.9942 -2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 0.5554 -2.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0216 2.8247 -2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3254 2.8803 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4264 1.3060 -1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 3 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 12 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 17 2 1 0 21 16 1 0 1 28 1 0 1 29 1 0 3 30 1 0 8 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 21 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 23 56 1 0 26 57 1 0 26 58 1 0 26 59 1 0 M END