CDK 1029232202 29 32 0 0 0 0 0 0 0 0999 V2000 0.0000 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 -2.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1435 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 -1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -2.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.9501 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 6 3 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 10 5 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 6 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 10 15 1 6 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 27 29 2 0 0 0 0 7 9 1 0 0 0 0 11 16 1 0 0 0 0 20 21 2 0 0 0 0 28 29 1 0 0 0 0 M END > CHEBI:204434 > Brevianamide O > 2 > (4S,7S)-7-benzyl-4-butan-2-yl-4-hydroxy-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione > C22H23N3O4 > 393.443 > 393.16886 > 0 > O=C1N2C(=NC3=C1C=CC=CO3)[C@](O)(NC([C@@H]2CC4=CC=CC=C4)=O)C(CC)C > InChI=1S/C22H23N3O4/c1-3-14(2)22(28)21-23-19-16(11-7-8-12-29-19)20(27)25(21)17(18(26)24-22)13-15-9-5-4-6-10-15/h4-12,14,17,28H,3,13H2,1-2H3,(H,24,26)/t14?,17-,22-/m0/s1 > QSTWWSSMFYPLHS-GXNUKWMWSA-N $$$$