CDK 1029232202 30 37 0 0 0 0 0 0 0 0999 V2000 0.7145 0.0000 0.0000 Cl 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 0.0000 -1.2375 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 0.7136 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 -1.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 -0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 -1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6474 -2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 -0.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 -1.8278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0948 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 -2.9270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0498 -0.7547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2631 -1.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0383 -2.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0727 -2.5666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0137 -3.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5153 -0.0416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3673 -2.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 0.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -0.0488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1871 -2.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6777 -2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7466 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5161 -3.6959 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4974 -2.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5715 -0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 11 8 1 0 0 0 0 9 12 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 6 0 0 0 11 15 1 1 0 0 0 11 16 1 0 0 0 0 17 11 1 0 0 0 0 13 18 1 1 0 0 0 14 19 1 0 0 0 0 20 14 1 0 0 0 0 16 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 1 0 0 0 24 20 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 7 8 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 1 0 0 0 24 23 1 1 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 M END > CHEBI:203612 > Spiroxin B > 2 > (1S,2R,4S,12S,13R,15S)-8,19-dichloro-7,18-dihydroxy-3,11,14,22-tetraoxaoctacyclo[10.9.1.11,6.112,17.02,4.013,15.010,24.021,23]tetracosa-6(24),7,9,17(23),18,20-hexaene-5,16-dione > C20H8Cl2O8 > 447.180 > 445.95962 > 0 > ClC1=C(O)C2=C3[C@]4(O[C@@]5(OC3=C1)C=6C(=C(O)C(=CC46)Cl)C(=O)[C@@H]7[C@H]5O7)[C@H]8[C@@H](C2=O)O8 > InChI=1S/C20H8Cl2O8/c21-4-1-3-9-7(11(4)23)13(25)16-18(28-16)20(9)29-6-2-5(22)12(24)8-10(6)19(3,30-20)17-15(27-17)14(8)26/h1-2,15-18,23-24H/t15-,16-,17-,18-,19+,20+/m1/s1 > NJXOYNMFAXWFQF-YRYYUTHUSA-N $$$$