Mrv1652304282223572D 30 36 0 0 1 0 999 V2000 4.5569 1.5155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4085 1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 1.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6998 2.6701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 2.4188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2016 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 2.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 2.1317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5890 1.4650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3103 0.6136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 1.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0556 1.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9469 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 3.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 3.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 3.0320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0896 3.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 3.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5643 3.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 4.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1647 4.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 1.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9648 0.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3383 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5602 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7829 0.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1368 1.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5374 2.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 1 15 1 0 0 0 0 8 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 2 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 24 30 1 0 0 0 0 M END > NP0076760 > NP-MRD > COC(=O)[C@]1(O)C(=O)[C@]23CC[C@@]11NC4=C(C=CC5=C4OCO5)[C@@]11CCN(CC=C2)[C@@H]31 > InChI=1S/C22H22N2O6/c1-28-18(26)22(27)17(25)19-5-2-9-24-10-8-20(16(19)24)12-3-4-13-15(30-11-29-13)14(12)23-21(20,22)7-6-19/h2-5,16,23,27H,6-11H2,1H3/t16-,19-,20+,21-,22+/m0/s1 > HDLTVMFXZCHWIB-GSNCRSPSSA-N > C22H22N2O6 > 410.426 > 410.147786436 > 7 > 52 > 41.091855344548044 > 1 > 2 > 0 > 1 > methyl (1S,12R,19R,21R,24R)-21-hydroxy-20-oxo-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1^{12,15}.0^{1,12}.0^{3,11}.0^{4,8}.0^{19,24}]tetracosa-3(11),4(8),9,17-tetraene-21-carboxylate > 1.53 > 0.9569414863333336 > -2.38 > 0 > 7 > 1 > 12.852564877180818 > 10.014621479325012 > 7.760194619726736 > 97.33000000000003 > 105.757 > 2 > 1 > 1.73e+00 g/l > methyl (1S,12R,19R,21R,24R)-21-hydroxy-20-oxo-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1^{12,15}.0^{1,12}.0^{3,11}.0^{4,8}.0^{19,24}]tetracosa-3(11),4(8),9,17-tetraene-21-carboxylate > 0 > NP0076760 > (+)-Kopsofinone $$$$