Mrv2104 03092314292D 43 45 0 0 1 0 999 V2000 -1.0757 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 -4.3974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7901 -3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -3.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0770 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5059 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -4.3974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2204 -5.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9349 -3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9349 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6493 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3638 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0783 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7927 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5072 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2217 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9362 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6506 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -5.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8927 -3.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4802 -3.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7658 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 -3.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6152 -3.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 -2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3052 -3.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 -2.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9372 -3.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7379 -1.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 -1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 13 12 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 4 25 2 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 29 33 1 1 0 0 0 29 34 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 35 41 1 0 0 0 0 40 42 2 0 0 0 0 39 43 2 0 0 0 0 M END > NP0333506 > NP-MRD > [H][C@@]12C[C@]3([H])C(=C)C(=O)O[C@]3([H])C[C@]1(C)[C@H]2CC[C@@H](C)OC(=O)CCCC[C@@H](O)\C=C\[C@@H](O)[C@H](O)CCCCCCCC > InChI=1S/C33H54O7/c1-5-6-7-8-9-10-14-28(35)29(36)19-17-24(34)13-11-12-15-31(37)39-22(2)16-18-26-27-20-25-23(3)32(38)40-30(25)21-33(26,27)4/h17,19,22,24-30,34-36H,3,5-16,18,20-21H2,1-2,4H3/b19-17+/t22-,24-,25-,26+,27+,28-,29-,30-,33-/m1/s1 > CPTRUJZOQMFUGJ-KWRDGHPUSA-N > C33H54O7 > 562.788 > 562.386954079 > 5 > 94 > 66.34826695366061 > 0 > 3 > 0 > 0 > (2R)-4-[(1R,3S,4S,5R,7R)-5-methyl-10-methylidene-9-oxo-8-oxatricyclo[5.3.0.0^{3,5}]decan-4-yl]butan-2-yl (6R,7E,9R,10R)-6,9,10-trihydroxyoctadec-7-enoate > 6.152692710666668 > 1 > 3 > 0 > 14.734731786661904 > 13.636225108149498 > -2.8472005592193668 > 113.29000000000002 > 156.46889999999996 > 20 > 0 > (2R)-4-[(1R,3S,4S,5R,7R)-5-methyl-10-methylidene-9-oxo-8-oxatricyclo[5.3.0.0^{3,5}]decan-4-yl]butan-2-yl (6R,7E,9R,10R)-6,9,10-trihydroxyoctadec-7-enoate > 0 > NP0333506 > Carabrolate F $$$$