Mrv1652305312218332D 59 63 0 0 1 0 999 V2000 -3.5135 -0.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -0.7301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6962 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 -0.8429 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 -4.6416 -0.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 -0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4589 -1.0686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9652 -0.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2761 -1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 -1.9456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8979 -2.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4043 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7151 -2.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0807 -2.5970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5743 -3.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3915 -3.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2634 -2.4841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4462 -2.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7571 -3.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9525 -1.7199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7698 -1.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1353 -1.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 0.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 1.3368 0.0000 H 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 -4.5262 1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3434 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2153 1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -1.3814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3110 -1.5369 0.0000 H 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 -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 1 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 2 0 0 0 0 0 0 0 0 0 -0.8641 -1.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -3.0516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0232 -3.8276 0.0000 H 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 1 0 0 0 0 0 0 0 0 0 1.5723 -1.9354 0.0000 H 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 2.3844 -2.0807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6647 -2.8566 0.0000 H 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 2 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 -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 2 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 0.4798 -1.0143 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 2 1 1 6 0 0 0 2 3 1 1 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 7 1 1 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 1 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 6 0 0 0 15 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 1 0 0 0 18 21 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 1 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 30 2 1 6 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 6 0 0 0 38 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 1 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 47 49 1 6 0 0 0 47 50 1 0 0 0 0 42 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 43 53 1 0 0 0 0 36 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 30 56 1 0 0 0 0 34 56 1 0 0 0 0 56 57 1 6 0 0 0 53 58 1 6 0 0 0 58 59 2 0 0 0 0 M END > NP0137782 > NP-MRD > [H][C@@](C)(CC([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C([H])(O)C(C)=C)[C@@]1([H])CC[C@@]2(C)[C@]3([H])[C@@]([H])(O)C=C4[C@@]([H])(CC[C@]([H])(O)C4(C)C)[C@@]3(CC[C@]12C)C=O > InChI=1S/C36H58O10/c1-18(2)27(41)24(45-32-30(44)29(43)28(42)25(16-37)46-32)14-19(3)20-10-11-35(7)31-23(39)15-22-21(8-9-26(40)33(22,4)5)36(31,17-38)13-12-34(20,35)6/h15,17,19-21,23-32,37,39-44H,1,8-14,16H2,2-7H3/t19-,20-,21-,23+,24?,25-,26+,27?,28-,29+,30-,31+,32-,34-,35+,36-/m1/s1 > SUQSGKGLBKFVCN-BHNRXWHNSA-N > C36H58O10 > 650.85 > 650.402998068 > 10 > 104 > 71.94659947272285 > 0 > 7 > 0 > 0 > (1R,2R,5S,9S,10S,11S,14R,15R)-5,9-dihydroxy-14-[(2R)-5-hydroxy-6-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-6-en-2-yl]-6,6,11,15-tetramethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-1-carbaldehyde > 1.6119327059999986 > 1 > 5 > 0 > 13.066294863276593 > 12.192263450101478 > -0.870430982764005 > 177.14 > 171.2594 > 9 > 0 > (1R,2R,5S,9S,10S,11S,14R,15R)-5,9-dihydroxy-14-[(2R)-5-hydroxy-6-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-6-en-2-yl]-6,6,11,15-tetramethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-1-carbaldehyde > 0 > NP0137782 > 24-Hydroxymomordicine III $$$$