HMDB0040956 RDKit 3D 9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate 59 60 0 0 0 0 0 0 0 0999 V2000 1.0032 0.6288 -2.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 0.4681 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 -0.3590 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 0.4478 0.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 0.1910 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0537 -0.8413 -0.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 1.0517 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2157 0.8173 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2835 1.7351 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6134 -0.3416 -0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 -0.7999 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 -0.9724 1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -2.4024 0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5444 -2.8403 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 -2.5782 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4609 0.0386 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 1.0671 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3434 2.1752 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 2.1270 1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 2.9564 2.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 0.9372 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 1.3145 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4467 2.2049 1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 0.1884 0.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7858 -0.1785 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6093 -1.3833 -1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4106 0.5612 -2.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 1.2339 -2.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9006 0.1893 -2.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 -1.1806 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 1.9106 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 1.4850 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2022 1.6732 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 2.7948 0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 -0.2939 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2884 -1.2782 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7162 -0.4228 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -1.8086 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 -0.1456 2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1441 -0.8457 2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 -3.1266 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1238 -3.7381 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5051 -3.2078 -0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 -2.0999 -1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -2.3132 -0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 -2.1029 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 -3.6819 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.4386 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 1.5232 -1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 2.0466 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 3.1229 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 0.3496 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 1.8399 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 3.2428 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5265 2.1592 1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3321 1.9096 2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6381 -1.0184 -1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1638 -1.9839 -2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7129 -2.0072 -0.6038 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 2 3 8 9 1 0 8 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 7 31 1 0 9 32 1 0 9 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