CDK 1030232202 66 67 0 0 0 0 0 0 0 0999 V2000 7.8593 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4303 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 1 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 8.5737 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0783 -0.0985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 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 5.0014 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5737 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4166 -0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4035 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5137 -0.1543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1400 -1.2354 0.0000 C 0 0 1 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 4.2868 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1682 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6655 -1.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 0.8890 0.0000 C 0 0 1 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 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9013 0.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0687 0.0000 N 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 2.8579 1.2375 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 2.8579 3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3863 -1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 C 0 0 0 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 2.1435 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.5376 0.0000 C 0 0 0 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 3.5724 4.9501 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 1.4289 -2.8875 0.0000 C 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 1.4289 -3.7125 0.0000 C 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 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 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 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -1.6500 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 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.6500 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 1 0 0 0 0 4 6 1 1 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 6 0 0 0 8 12 1 6 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 15 9 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 1 0 0 0 18 23 2 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 24 28 1 6 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 6 0 0 0 26 32 2 0 0 0 0 33 26 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 30 36 2 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 33 39 1 1 0 0 0 34 40 2 0 0 0 0 41 34 1 0 0 0 0 35 42 2 0 0 0 0 35 43 1 0 0 0 0 38 44 1 0 0 0 0 38 45 1 0 0 0 0 39 46 1 0 0 0 0 39 47 1 0 0 0 0 41 48 1 1 0 0 0 41 49 1 0 0 0 0 43 50 2 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 55 58 2 0 0 0 0 56 59 2 0 0 0 0 57 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 33 37 1 0 0 0 0 58 59 1 0 0 0 0 M END > CHEBI:222285 > Coprisamide C > 2 > C47H70N8O11 > 923.122 > 922.51641 > 0 > O=C1OC[C@@H](NC(=O)[C@H](NC(=O)/C=C/C2=C(C=CC=C2)/C=C\C=C\CC(C)C)C)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1[C@@H](C(=O)O)C)=O)CNC(=O)[C@@H](N)C(C)C)=O)C(C)C)CC(C)C > InChI=1S/C47H70N8O11/c1-25(2)16-12-11-13-17-31-18-14-15-19-32(31)20-21-36(56)50-30(10)40(57)53-35-24-66-47(65)39(29(9)46(63)64)55-42(59)34(23-49-44(61)37(48)27(5)6)52-45(62)38(28(7)8)54-41(58)33(22-26(3)4)51-43(35)60/h11-15,17-21,25-30,33-35,37-39H,16,22-24,48H2,1-10H3,(H,49,61)(H,50,56)(H,51,60)(H,52,62)(H,53,57)(H,54,58)(H,55,59)(H,63,64)/b12-11+,17-13-,21-20+/t29-,30+,33+,34-,35+,37-,38-,39-/m0/s1 > JMSMUKSEAVWMLS-NRIHHCDJSA-N $$$$