CDK 1030232202 45 49 0 0 0 0 0 0 0 0999 V2000 2.8579 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 2.4750 0.0000 O 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 5.0013 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.3000 0.0000 O 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 2.1434 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 6.4302 4.9500 0.0000 O 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 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 2 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 3.5724 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 2 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 4.2868 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.4750 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 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 1 0 0 0 4 8 1 0 0 0 0 9 4 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 2 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 6 0 0 0 17 9 1 0 0 0 0 11 18 1 0 0 0 0 11 19 2 0 0 0 0 12 20 2 0 0 0 0 15 21 2 0 0 0 0 17 22 1 6 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 21 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 33 30 1 1 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 36 38 1 6 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 37 41 1 1 0 0 0 39 42 1 1 0 0 0 40 43 1 1 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 9 12 1 0 0 0 0 13 18 1 0 0 0 0 17 21 1 0 0 0 0 24 27 2 0 0 0 0 39 40 1 0 0 0 0 M END > CHEBI:222496 > Elloramycin B > 2 > methyl (6aS,7R,10aR)-6a,7,10a,12-tetrahydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate > C30H32O15 > 632.571 > 632.17412 > 0 > O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@H](OC)[C@@H]([C@H]4O)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@]5([C@@]1(O)C(=O)C=C(OC)[C@@H]5O)O > InChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-21(33)23(42-5)22(41-4)11(2)44-28)7-13-19(20(17)32)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,21-23,25,28,32-33,35,38-39H,1-6H3/t11-,21-,22+,23-,25+,28+,29-,30+/m1/s1 > VHGYYGLXAJDRCY-GGUBEPLUSA-N $$$$