Mrv1652304282223562D 32 39 0 0 1 0 999 V2000 3.2710 0.3324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9536 -0.6047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4150 -0.0538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7072 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7018 -0.5123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5985 0.1525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0372 0.7061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9906 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3639 2.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4556 1.0854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2949 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7878 -1.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 -0.8685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 -0.3813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6791 -0.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6317 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -0.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0778 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7936 0.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0668 -0.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9442 -0.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1415 -1.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 -2.5585 0.0000 C 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 5 4 1 6 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 13 11 1 6 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 3 14 1 0 0 0 0 14 15 2 0 0 0 0 5 16 1 0 0 0 0 16 17 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 6 0 0 0 2 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 1 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 19 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0076753 > NP-MRD > COC(=O)N1C2=C(C=CC3=C2OCO3)[C@]23[C@H]4N5CCC[C@]44CC[C@]12[C@@](O)(C4)C(=O)[C@H]3C5=O > InChI=1S/C23H22N2O7/c1-30-19(28)25-14-11(3-4-12-15(14)32-10-31-12)23-13-16(26)21(29)9-20(6-7-22(21,23)25)5-2-8-24(17(13)27)18(20)23/h3-4,13,18,29H,2,5-10H2,1H3/t13-,18-,20+,21+,22+,23-/m0/s1 > YEASPMIDQRXWQF-TXVARBJCSA-N > C23H22N2O7 > 438.436 > 438.142701056 > 7 > 54 > 43.241961847714414 > 1 > 1 > 0 > 1 > methyl (1R,2S,3R,14S,15S,17S)-15-hydroxy-16,18-dioxo-8,10-dioxa-13,19-diazaoctacyclo[12.8.2.1^{1,15}.0^{2,19}.0^{3,14}.0^{3,17}.0^{4,12}.0^{7,11}]pentacosa-4(12),5,7(11)-triene-13-carboxylate > 1.15 > 0.6005425583333337 > -1.91 > 0 > 8 > 0 > 14.565982970432422 > 12.240631328775772 > -2.607612264143818 > 105.61 > 105.66760000000002 > 1 > 1 > 5.42e+00 g/l > methyl (1R,2S,3R,14S,15S,17S)-15-hydroxy-16,18-dioxo-8,10-dioxa-13,19-diazaoctacyclo[12.8.2.1^{1,15}.0^{2,19}.0^{3,14}.0^{3,17}.0^{4,12}.0^{7,11}]pentacosa-4(12),5,7(11)-triene-13-carboxylate > 0 > NP0076753 > (+)-Kopsifine $$$$