Mrv1652306242119563D 64 68 0 0 0 0 999 V2000 4.8746 -2.0008 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0462 -0.8401 0.5551 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8572 -0.1489 0.8355 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 0.2719 -0.3055 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8244 0.4965 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 1.0188 -1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 1.1606 -1.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 0.7838 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4685 0.2736 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 0.1323 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3271 -0.3861 1.8228 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3935 -0.1431 1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 -0.6002 2.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8342 -0.0162 1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7308 -0.4036 2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0898 -0.2812 2.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 0.2220 0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7157 0.6014 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 0.4908 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4175 0.9066 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 1.3640 -1.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0744 1.1184 -1.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2276 0.7326 -1.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0242 0.6272 -3.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5820 0.4377 -1.5313 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8102 -0.2107 -0.2273 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7218 -1.7330 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2122 0.0185 0.0618 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1026 0.2985 0.9660 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0974 1.3041 -1.0244 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5310 0.8995 -1.1569 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0578 0.1860 0.0425 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2868 -0.4703 -0.3692 N 0 0 2 0 0 0 0 0 0 0 0 0 7.9125 -1.1709 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1995 0.6690 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9202 -2.5258 -0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0285 -1.7461 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6519 -2.8068 -0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4368 -1.2198 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4089 -0.6687 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 1.3374 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 1.5682 -2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 -0.5576 2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3029 -0.7795 3.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7844 -0.5686 2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -0.2597 -2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2561 1.3337 -1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7208 -2.1177 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5197 -2.0900 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0490 -2.0358 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3130 0.9872 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4334 -0.3834 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4651 1.3424 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6879 1.5872 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0866 2.2348 -0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 1.8272 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6306 0.3129 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 0.8729 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9994 -0.9087 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8565 -2.2758 0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 -0.8268 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0849 1.3639 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2353 0.2690 -0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9883 1.1250 -1.6498 H 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 18 22 1 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 1 0 0 0 26 29 1 0 0 0 0 4 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 33 34 1 0 0 0 0 33 35 1 0 0 0 0 32 2 1 0 0 0 0 10 5 1 0 0 0 0 19 14 1 0 0 0 0 20 8 1 0 0 0 0 29 17 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 39 1 1 0 0 0 4 40 1 6 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 11 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 1 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M END > NP0014508 > NP-MRD > [H]OC1=C2C(=O)C3=C([H])C([H])=C4C(OC(=O)C([H])([H])[C@@](O[H])(C([H])([H])[H])C4([H])[H])=C3C(=O)C2=C([H])C([H])=C1[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] > InChI=1S/C27H29NO7/c1-13-18(28(3)4)9-10-19(34-13)15-7-8-16-21(23(15)30)24(31)17-6-5-14-11-27(2,33)12-20(29)35-26(14)22(17)25(16)32/h5-8,13,18-19,30,33H,9-12H2,1-4H3/t13-,18-,19+,27+/m0/s1 > LRZDWZOTMHTTRQ-GADWBQAHSA-N > C27H29NO7 > 479.529 > 479.194402278 > 7 > 64 > 52.5065851521194 > 1 > 2 > 0 > 1 > (6R)-15-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-6,14-dihydroxy-6-methyl-3-oxatetracyclo[9.8.0.0^{2,8}.0^{13,18}]nonadeca-1,8,10,13,15,17-hexaene-4,12,19-trione > 3.01 > 2.8824741049891816 > -4.13 > 0 > 5 > 1 > 14.59982843572941 > 7.526616013731235 > 8.132176669874958 > 113.37 > 129.17029999999997 > 2 > 1 > 3.60e-02 g/l > (6R)-15-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-6,14-dihydroxy-6-methyl-3-oxatetracyclo[9.8.0.0^{2,8}.0^{13,18}]nonadeca-1,8,10,13,15,17-hexaene-4,12,19-trione > 0 > NP0014508 > Monacyclinone D $$$$