Mrv1652306212101113D 65 70 0 0 0 0 999 V2000 1.6805 -1.6337 4.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -0.8998 4.8742 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6983 -1.7036 5.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1391 -0.4636 3.4712 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2452 0.4817 3.5742 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 1.0111 2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 2.0524 2.5117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 0.3200 1.1311 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2675 1.0128 0.4721 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4699 1.3375 -1.0168 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4667 0.1413 -1.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 2.2265 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 2.0737 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8189 2.9735 -2.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 3.9924 -2.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 4.1342 -3.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 3.2580 -2.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 3.1722 -2.3113 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2905 3.6684 -3.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 4.5361 -3.9554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 2.8192 -2.7087 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4686 3.6376 -1.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 2.2918 -3.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 1.6702 -1.9164 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.7220 2.2380 -1.3202 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2608 -1.1200 1.3575 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -1.5698 2.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -2.8178 2.7181 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -3.7727 1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 -5.1237 2.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -6.1080 1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -5.7469 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -4.4016 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 -3.4265 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 -1.9962 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -1.6243 -0.7015 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 -1.0549 4.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6024 -2.6219 4.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.7768 5.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5136 0.0223 5.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 -1.8558 6.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 -2.6924 5.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 -1.1771 5.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6807 0.0755 2.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 0.9813 4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3733 0.4262 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 0.3768 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 1.9475 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2675 -0.3802 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 1.2592 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 2.8706 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 4.6689 -3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4275 4.9082 -3.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 4.4749 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3003 3.0239 -1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 4.0705 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0451 1.6143 -3.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5352 1.7488 -4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6466 3.1139 -4.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 0.9805 -2.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9838 2.8235 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -5.4100 2.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 -7.1565 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 -6.5129 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -4.1169 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 10 12 1 0 0 0 0 25 18 1 0 0 0 0 14 15 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 27 4 1 0 0 0 0 26 8 1 0 0 0 0 8 6 1 0 0 0 0 6 5 1 0 0 0 0 5 4 1 0 0 0 0 12 17 1 0 0 0 0 34 29 2 0 0 0 0 18 19 1 0 0 0 0 29 30 1 0 0 0 0 19 21 1 0 0 0 0 30 31 2 0 0 0 0 21 24 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 8 9 1 0 0 0 0 15 16 1 0 0 0 0 35 36 2 0 0 0 0 10 9 1 0 0 0 0 6 7 2 0 0 0 0 16 17 2 0 0 0 0 19 20 2 0 0 0 0 17 18 1 0 0 0 0 4 2 1 0 0 0 0 29 28 1 0 0 0 0 2 1 1 0 0 0 0 34 35 1 0 0 0 0 2 3 1 0 0 0 0 35 26 1 0 0 0 0 21 22 1 1 0 0 0 27 28 2 0 0 0 0 21 23 1 0 0 0 0 27 26 1 0 0 0 0 25 61 1 1 0 0 0 25 10 1 0 0 0 0 10 11 1 6 0 0 0 25 24 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 13 50 1 0 0 0 0 24 60 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 8 46 1 6 0 0 0 5 45 1 0 0 0 0 4 44 1 6 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 2 40 1 1 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 11 49 1 0 0 0 0 M END > NP0041225 > NP-MRD > [H]O[C@]1(C2=C([H])C([H])=C([H])C([H])=C2N2C(=O)C(N([H])[C@@]12[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]1([H])N2C(=O)C3=C(N=C2[C@@]([H])(N([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C([H])C([H])=C3[H] > InChI=1S/C27H29N5O4/c1-14(2)20-21-28-17-11-7-5-9-15(17)23(34)31(21)19(22(33)29-20)13-27(36)16-10-6-8-12-18(16)32-24(27)30-26(3,4)25(32)35/h5-12,14,19-20,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,20+,24-,27+/m1/s1 > VHQZIMAMLQIPDR-SHYROUOXSA-N > C27H29N5O4 > 487.56 > 487.221954434 > 6 > 65 > 52.44443552318322 > 1 > 3 > 0 > 0 > (1S,4R)-4-{[(9S,9aR)-9-hydroxy-2,2-dimethyl-3-oxo-1H,2H,3H,9H,9aH-imidazo[1,2-a]indol-9-yl]methyl}-1-(propan-2-yl)-1H,2H,3H,4H,6H-pyrazino[2,1-b]quinazoline-3,6-dione > 0.98 > 1.933830028333333 > -3.17 > 0 > 6 > 0 > 12.939343430251096 > 11.219823834900701 > 4.793374627509915 > 114.34 > 133.2159 > 3 > 1 > 3.33e-01 g/l > (1S,4R)-4-{[(9S,9aR)-9-hydroxy-2,2-dimethyl-3-oxo-1H,9aH-imidazo[1,2-a]indol-9-yl]methyl}-1-isopropyl-1H,2H,4H-pyrazino[2,1-b]quinazoline-3,6-dione > 0 > NP0041225 > fiscalin C $$$$