Mrv1652309092210182D 26 30 0 0 1 0 999 V2000 3.1037 -1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 -1.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -2.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 -3.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 -3.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 -4.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 -4.8405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2814 -5.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 -5.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7131 -5.1582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3342 -4.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 -4.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 -3.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0269 -3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 -3.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4509 -3.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5191 -4.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8411 -4.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 -4.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 -4.3793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4468 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 -3.9080 0.0000 C 0 0 2 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 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 21 22 1 0 0 0 0 22 23 2 0 0 0 0 15 23 1 0 0 0 0 18 23 1 0 0 0 0 24 16 1 1 0 0 0 12 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 1 0 0 0 5 26 1 0 0 0 0 10 26 1 0 0 0 0 M END > NP0281753 > NP-MRD > COC(=O)C1=CO[C@@H](C)C2=CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12 > InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1 > BXTHVTLKWJZGAA-ODYMNIRHSA-N > C21H22N2O3 > 350.418 > 350.163042576 > 3 > 48 > 39.22483808981001 > 1 > 1 > 0 > 1 > methyl (1S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,14,18-hexaene-19-carboxylate > 2.557444614333334 > 0 > 5 > 0 > 16.36301397045934 > 6.014851129578983 > 54.56 > 99.6847 > 2 > 1 > methyl (1S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,14,18-hexaene-19-carboxylate > 0 > NP0281753 > cathenamine $$$$