Mrv1533004171522362D 52 56 0 0 0 0 999 V2000 -7.7952 0.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9779 0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 1.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4716 0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6543 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5415 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7672 1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8371 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5135 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 0.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 -1.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -2.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -3.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 -3.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 -3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6359 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 -1.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5404 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8207 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6328 -2.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0723 -1.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8844 -1.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3238 0.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -0.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 -2.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -3.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 -3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -0.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1995 -0.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1444 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -1.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 5 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 30 39 1 0 0 0 0 39 40 1 0 0 0 0 28 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 25 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 26 46 1 0 0 0 0 21 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 15 51 1 0 0 0 0 19 51 1 0 0 0 0 51 52 1 0 0 0 0 M END > NP0204750 > NP-MRD > CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C > InChI=1S/C38H54O14/c1-17(40)52-33(2,3)11-10-24(43)38(9,49)30-21(42)14-35(6)29-20(41)12-18-19(37(29,8)25(44)15-36(30,35)7)13-22(31(48)34(18,4)5)50-32-28(47)27(46)26(45)23(16-39)51-32/h10-13,19-21,23,26-30,32,39,41-42,45-47,49H,14-16H2,1-9H3 > VJTYFWONTVLZJR-UHFFFAOYSA-N > C38H54O14 > 734.836 > 734.351356419 > 13 > 106 > 76.53136127199602 > 0 > 7 > 0 > 0 > 6-(9,13-dihydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-dien-14-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate > 1.65 > 0.02932463133333249 > -3.83 > 1 > 5 > 0 > 12.814831537071807 > 12.126024694162282 > -2.8839254921082933 > 237.57999999999998 > 186.4636000000001 > 9 > 0 > 1.08e-01 g/l > 6-(9,13-dihydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-dien-14-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate > 0 > NP0204750 > 6-(2,4-dihydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthren-1-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate $$$$