CDK 1030232201 33 36 0 0 0 0 0 0 0 0999 V2000 5.0013 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2869 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5723 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.0000 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 5.0013 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 3.7125 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 4 2 1 6 0 0 0 3 5 1 0 0 0 0 6 3 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 1 0 0 0 14 7 1 0 0 0 0 8 15 2 0 0 0 0 16 9 1 0 0 0 0 11 17 1 0 0 0 0 18 11 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 6 0 0 0 14 22 1 0 0 0 0 16 23 1 1 0 0 0 18 24 1 0 0 0 0 18 25 1 1 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 26 31 1 0 0 0 0 27 32 2 0 0 0 0 31 33 2 0 0 0 0 8 10 1 0 0 0 0 12 17 1 0 0 0 0 16 22 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:210989 > Pyranamide B > 2 > (3R,4'R,6R,6'R)-6-benzyl-9-[(2S)-butan-2-yl]-4',6'-dimethoxyspiro[6,8-dihydro-1H-pyrazino[1,2-a]pyrimidine-3,2'-oxane]-2,4,7-trione > C24H31N3O6 > 457.527 > 457.22129 > 0 > O=C1N2C(NC([C@@]13O[C@@H](OC)C[C@@H](C3)OC)=O)=C(NC([C@H]2CC4=CC=CC=C4)=O)[C@H](CC)C > InChI=1S/C24H31N3O6/c1-5-14(2)19-20-26-22(29)24(13-16(31-3)12-18(32-4)33-24)23(30)27(20)17(21(28)25-19)11-15-9-7-6-8-10-15/h6-10,14,16-18H,5,11-13H2,1-4H3,(H,25,28)(H,26,29)/t14-,16-,17+,18+,24+/m0/s1 > CICAMELMHNOFPY-DTPBCAQXSA-N $$$$