Mrv1652304282211192D 23 24 0 0 1 0 999 V2000 2.5217 -0.4693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9590 -1.0726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1552 -0.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 0.0876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1310 0.8766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4317 1.4799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2356 1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 1.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6021 1.7120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8432 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6471 0.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 -0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6921 -0.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 -0.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 2.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 1.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1906 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 0.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 -1.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2805 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 1 15 1 0 0 0 0 10 16 1 6 0 0 0 10 17 1 1 0 0 0 7 18 1 1 0 0 0 18 19 1 0 0 0 0 6 20 1 6 0 0 0 6 21 1 0 0 0 0 5 21 1 1 0 0 0 2 22 1 1 0 0 0 1 23 1 1 0 0 0 M END > NP0065053 > NP-MRD > CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC[C@H]2O[C@@]12C > InChI=1S/C18H28O5/c1-12-6-7-15-18(4,23-15)14(21-5)8-10-17(3,20)11-9-16(19)22-13(12)2/h8-15,20H,6-7H2,1-5H3/b10-8+,11-9+/t12-,13+,14-,15+,17+,18-/m0/s1 > DWPSZWXJNGIASS-JCRVKWHYSA-N > C18H28O5 > 324.417 > 324.193674002 > 4 > 51 > 35.61604140835654 > 1 > 1 > 0 > 1 > (1R,4S,5R,8E,10R,11E,13S,14R)-10-hydroxy-13-methoxy-4,5,10,14-tetramethyl-6,15-dioxabicyclo[12.1.0]pentadeca-8,11-dien-7-one > 2.71 > 2.711913832666666 > -3.73 > 0 > 2 > 0 > 14.245132840884615 > -3.1289788953970694 > 68.29 > 88.9349 > 1 > 1 > 6.09e-02 g/l > (1R,4S,5R,8E,10R,11E,13S,14R)-10-hydroxy-13-methoxy-4,5,10,14-tetramethyl-6,15-dioxabicyclo[12.1.0]pentadeca-8,11-dien-7-one > 0 > NP0065053 > Albocycline M-1 $$$$