139584718 CDK 0118221227 32 34 0 0 0 0 0 0 0 0999 V2000 7.9187 -2.5565 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -2.9490 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -0.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 -0.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 -3.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5638 -3.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -1.2990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7208 -2.1240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2058 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2058 -2.1412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7208 -0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 -2.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0308 -1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6155 -0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 -0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8641 2.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8641 3.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5787 3.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 3.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 9 2 1 1 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 21 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 23 2 3 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 M END > CHEBI:189253 > 3-dechloro-3-brominapyradiomycin A1 > 2 > (3R,4aR,10aS)-3-bromo-4a-chloro-10a-(3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione > C25H30BrClO5 > 525.860 > 524.09651 > 0 > Br[C@H]1C(O[C@@]2([C@](Cl)(C1)C(=O)C3=C(C2=O)C=C(O)C=C3O)CC=C(CCC=C(C)C)C)(C)C > InChI=1S/C25H30BrClO5/c1-14(2)7-6-8-15(3)9-10-25-21(30)17-11-16(28)12-18(29)20(17)22(31)24(25,27)13-19(26)23(4,5)32-25/h7,9,11-12,19,28-29H,6,8,10,13H2,1-5H3/t19-,24+,25+/m1/s1 > RETCPPWIOCMJEO-NGXZDTIWSA-N $$$$