CDK 1029232203 34 42 0 0 0 0 0 0 0 0999 V2000 6.6822 1.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 3.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2532 1.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2532 3.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 3.0329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6657 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8407 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8422 1.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 3.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8243 3.4454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0945 2.2277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8380 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 3.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 -0.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 0.8205 0.0000 O 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 2.8272 0.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7472 2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1067 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 3.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9403 2.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8541 1.3276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6793 1.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 1.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4327 -0.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1395 0.9151 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 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 10 1 1 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 6 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 22 15 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 26 19 1 0 0 0 0 22 27 1 6 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 30 24 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0 26 33 1 1 0 0 0 30 34 1 6 0 0 0 6 7 1 0 0 0 0 12 11 1 1 0 0 0 13 16 1 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 24 26 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:204511 > Dhilirolide A > 2 > (2S,4R,6S,12S,14R,15S,17S,20S)-15-hydroxy-2,7,7,14,17,20-hexamethylspiro[5,8,16,18,21-pentaoxaoctacyclo[12.8.1.01,19.02,12.04,6.06,11.012,17.015,19]tricos-10-ene-23,2'-oxirane]-9,22-dione > C25H28O9 > 472.490 > 472.17333 > 0 > O=C1OC([C@@]23O[C@@H]2C[C@]4(C5(C3=C1)[C@@]6(O[C@@]7(O)[C@@](C5)(C)C8(C49C(=O)O[C@H](C97O6)C)OC8)C)C)(C)C > InChI=1S/C25H28O9/c1-11-24-23(15(27)30-11)17(4)8-13-22(31-13)12(7-14(26)32-16(22,2)3)20(17)9-18(5,21(23)10-29-21)25(24,28)34-19(20,6)33-24/h7,11,13,28H,8-10H2,1-6H3/t11-,13+,17-,18+,19-,20?,21?,22-,23?,24?,25-/m0/s1 > AFTWYBGCXZDDHS-CMWPFNIWSA-N $$$$