CDK 1028232203 41 46 0 0 0 0 0 0 0 0999 V2000 4.2870 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 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 5.7159 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 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 7.1449 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 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 7.1449 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 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 6.4304 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 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 7.8594 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 3.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 5.7751 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 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 37 2 0 0 0 0 35 38 1 0 0 0 0 35 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 7 8 1 0 0 0 0 12 15 1 0 0 0 0 19 24 1 0 0 0 0 23 27 1 0 0 0 0 31 32 1 0 0 0 0 37 39 1 0 0 0 0 M END > CHEBI:200422 > Fredericamycin B > 2 > 3,15,19,22,26-pentahydroxy-20-methoxy-7-[(1E,3E)-penta-1,3-dienyl]-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,7,9,15,18(23),19,21,25-decaene-5,17,24-trione > C31H23NO9 > 553.523 > 553.13728 > 0 > O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C > InChI=1S/C31H23NO9/c1-3-4-5-6-14-10-13-9-12-7-8-15-20(18(12)27(36)19(13)31(40)32-14)28(37)24-23(25(15)34)30(39)22-21(29(24)38)16(33)11-17(41-2)26(22)35/h3-6,9-11,33-37H,7-8H2,1-2H3,(H,32,40)/b4-3+,6-5+ > YNIOLMWTOALCPA-VNKDHWASSA-N $$$$