Mrv1652304282213032D 26 31 0 0 1 0 999 V2000 6.7143 0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3060 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3102 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 1.1527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0933 2.0737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9080 2.3764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1992 3.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6763 3.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0133 3.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3045 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4505 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 2.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 1.6652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8765 1.0419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6514 0.1748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 1.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3212 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4395 2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 3.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 2.6425 0.0000 C 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 2 0 0 0 0 1 6 1 0 0 0 0 7 5 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 7 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 7 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 8 26 1 0 0 0 0 M END > NP0066821 > NP-MRD > COC(=O)N1C2=CC=CC=C2[C@@]23CCN4CC=C[C@]5(CC[C@]12CC5=O)[C@@H]34 > InChI=1S/C21H22N2O3/c1-26-18(25)23-15-6-3-2-5-14(15)21-10-12-22-11-4-7-19(17(21)22)8-9-20(21,23)13-16(19)24/h2-7,17H,8-13H2,1H3/t17-,19+,20+,21+/m0/s1 > YJPZEEJEVQHKLG-OYNPSCLESA-N > C21H22N2O3 > 350.418 > 350.163042576 > 4 > 48 > 37.19751307849643 > 1 > 0 > 0 > 1 > methyl (1R,9R,16R,21R)-17-oxo-2,12-diazahexacyclo[14.2.2.1^{9,12}.0^{1,9}.0^{3,8}.0^{16,21}]henicosa-3,5,7,14-tetraene-2-carboxylate > 1.86 > 2.292942193 > -2.50 > 0 > 6 > 1 > 17.418752766214183 > 8.353801565079115 > 49.85 > 97.09199999999998 > 1 > 1 > 1.12e+00 g/l > methyl (1R,9R,16R,21R)-17-oxo-2,12-diazahexacyclo[14.2.2.1^{9,12}.0^{1,9}.0^{3,8}.0^{16,21}]henicosa-3,5,7,14-tetraene-2-carboxylate > 0 > NP0066821 > (+)-Kopsinone $$$$