Mrv1652306242119523D 39 44 0 0 0 0 999 V2000 -4.3406 2.1482 1.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 1.1500 1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 -0.1114 1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8124 -1.2251 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 -1.3493 0.9357 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8685 -1.8040 -0.2671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1481 -0.7719 -0.8669 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1528 0.2135 -1.4079 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1489 1.4051 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0018 2.5420 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3336 1.1665 0.9467 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6174 -0.1103 1.3087 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4194 -0.2046 0.3491 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1646 1.0322 0.1068 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5031 1.0872 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 2.2440 -0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 2.2996 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 1.2025 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.0477 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4622 -1.0626 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 -2.2092 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 -2.2807 0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -1.1761 0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3275 -0.0080 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4741 -1.1768 0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5757 -0.0594 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3895 -2.1284 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -2.1303 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4601 -1.1583 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 0.4896 -2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -0.1906 -1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 1.9957 1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2857 -0.0727 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 3.1012 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 3.1920 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2317 1.2049 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 -1.0277 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 -3.0904 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1747 -3.1741 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 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 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 11 2 1 0 0 0 0 25 13 1 0 0 0 0 12 5 1 0 0 0 0 24 15 1 0 0 0 0 13 7 1 0 0 0 0 24 19 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 1 0 0 0 7 29 1 6 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 11 32 1 1 0 0 0 12 33 1 1 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END > NP0014007 > NP-MRD > [H]C1=C([H])C2=C([H])C([H])=C([H])C3=C2C(OC2(O3)[C@@]3([H])O[C@]4([H])C([H])=C([H])C(=O)[C@]([H])(C(=O)C3([H])[H])[C@]24[H])=C1[H] > InChI=1S/C20H14O5/c21-11-7-8-15-19-18(11)12(22)9-16(23-15)20(19)24-13-5-1-3-10-4-2-6-14(25-20)17(10)13/h1-8,15-16,18-19H,9H2/t15-,16+,18-,19-/m1/s1 > VFYQSNKCCXLDEP-IGEHEEHSSA-N > C20H14O5 > 334.327 > 334.084123551 > 5 > 39 > 33.15743370612596 > 1 > 0 > 0 > 1 > (1S,4S,8R,9S)-2',4',11-trioxaspiro[tricyclo[6.2.1.0^{4,9}]undecane-10,3'-tricyclo[7.3.1.0^{5,13}]tridecane]-1'(13'),5',6,7',9',11'-hexaene-3,5-dione > 2.74 > 3.418861311333333 > -3.78 > 0 > 6 > 0 > 17.178229884689106 > 11.155662301347707 > -4.115818939189128 > 61.83000000000001 > 87.4359 > 0 > 1 > 5.59e-02 g/l > (1S,4S,8R,9S)-2',4',11-trioxaspiro[tricyclo[6.2.1.0^{4,9}]undecane-10,3'-tricyclo[7.3.1.0^{5,13}]tridecane]-1'(13'),5',6,7',9',11'-hexaene-3,5-dione > 0 > NP0014007 > Palmarumycin CP3 $$$$