CDK 1029232203 35 40 0 0 0 0 0 0 0 0999 V2000 -2.1198 2.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3023 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 2.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 1.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 2.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3327 1.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 2.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 1.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 0.1043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7284 1.2688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4750 0.4836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7605 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 1.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8211 0.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6481 -1.2491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8099 0.4863 0.0000 C 0 0 1 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 2.2197 -0.7395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8515 -2.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4219 1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 0.1522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3144 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5698 -0.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 -1.2010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3900 -2.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -1.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6521 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 0.6384 0.0000 C 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 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 5 7 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 2 0 0 0 0 10 12 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 13 16 1 6 0 0 0 14 17 1 6 0 0 0 18 15 1 0 0 0 0 15 19 1 6 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 18 22 1 6 0 0 0 23 18 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 6 0 0 0 21 26 1 6 0 0 0 27 21 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 30 1 1 0 0 0 24 31 2 0 0 0 0 24 32 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 1 0 0 0 29 35 1 0 0 0 0 6 7 1 0 0 0 0 14 15 1 0 0 0 0 18 21 1 0 0 0 0 20 23 1 0 0 0 0 30 32 1 1 0 0 0 30 33 1 0 0 0 0 M END > CHEBI:205383 > 4,25-dehydro-22-deoxyminiolutelide B > 2 > methyl (1R,10S,12R,13R,15S,18S,19S,20R,21R)-12-hydroxy-7,7,13,18,21-pentamethyl-2-methylidene-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8-diene-20-carboxylate > C26H30O9 > 486.517 > 486.18898 > 0 > O=C1OC(C2=C[C@@H]3O[C@@]4(O)[C@H](O[C@@H]5[C@@H]6[C@]4([C@]3([C@@H](C(C2=C1)=C)C[C@@]6(C(=O)O5)C)C)C(=O)OC)C)(C)C > InChI=1S/C26H30O9/c1-11-13-8-17(27)35-22(3,4)14(13)9-16-24(6)15(11)10-23(5)18-19(33-20(23)28)32-12(2)26(30,34-16)25(18,24)21(29)31-7/h8-9,12,15-16,18-19,30H,1,10H2,2-7H3/t12-,15-,16+,18+,19+,23+,24+,25-,26+/m1/s1 > SSIAJGSCGQAALW-BEQYNWFXSA-N $$$$