CDK 1030232203 38 43 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 4.2887 -0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 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 3.5989 0.8933 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 3.1597 1.1480 0.0000 C 0 0 1 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 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4462 1.9551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7760 0.5323 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 2.3980 1.7566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2268 1.1162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0066 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 2.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 2.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5069 0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -0.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 1.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 2.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 1.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 1.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4129 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6386 0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5907 1.6314 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 0.7405 -0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 -0.5235 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 0.7071 0.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0873 -0.2266 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 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 7 5 1 1 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 8 13 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 6 0 0 0 11 18 1 0 0 0 0 12 19 1 1 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 6 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 6 0 0 0 15 26 1 0 0 0 0 18 27 2 0 0 0 0 21 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 31 35 2 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 34 38 2 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 20 27 1 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 35 38 1 0 0 0 0 M END > CHEBI:225167 > 7beta,8beta-epoxyisororidin E > 2 > (3R,8S,9S,13Z,19Z,21Z,25R,27S)-18-(1-hydroxyethyl)-5,14,26-trimethylspiro[2,7,11,17,24-pentaoxapentacyclo[23.2.1.03,9.06,8.09,26]octacosa-4,13,19,21-tetraene-27,2'-oxirane]-12,23-dione > C29H36O9 > 528.598 > 528.23593 > 0 > O=C1OC[C@@]23C4([C@@]5(OC5)C(O[C@@H]2C=C(C)C6[C@H]3O6)C[C@H]4OC(=O)C=CC=CC(OCCC(=C1)C)C(O)C)C > InChI=1S/C29H36O9/c1-16-9-10-33-19(18(3)30)7-5-6-8-23(31)37-20-13-22-29(15-35-29)27(20,4)28(14-34-24(32)11-16)21(36-22)12-17(2)25-26(28)38-25/h5-8,11-12,18-22,25-26,30H,9-10,13-15H2,1-4H3/b7-5-,8-6-,16-11-/t18?,19?,20-,21-,22?,25?,26-,27?,28-,29+/m1/s1 > SVPSTMIMOGGJOG-CBYZLBOXSA-N $$$$