Mrv1533004161520402D 51 55 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 0.5086 -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 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 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 31 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 29 38 1 0 0 0 0 38 39 1 0 0 0 0 27 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 24 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 25 45 1 0 0 0 0 21 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 15 50 1 0 0 0 0 19 50 1 0 0 0 0 50 51 1 0 0 0 0 M END > NP0226214 > NP-MRD > CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C > InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3 > QKEJRKXVLGOJMB-UHFFFAOYSA-N > C38H54O13 > 718.837 > 718.356441799 > 12 > 105 > 75.68710535785812 > 0 > 6 > 0 > 0 > 6-hydroxy-6-(13-hydroxy-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)-2-methyl-5-oxohept-3-en-2-yl acetate > 2.28 > 1.1821819683333317 > -4.19 > 1 > 5 > 0 > 12.82184007132371 > 12.127820176701315 > -2.883865699538827 > 217.35 > 185.02510000000007 > 9 > 0 > 4.61e-02 g/l > 6-hydroxy-6-(13-hydroxy-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)-2-methyl-5-oxohept-3-en-2-yl acetate > 0 > NP0226214 > 6-hydroxy-6-(2-hydroxy-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)-2-methyl-5-oxohept-3-en-2-yl acetate $$$$