CDK 1030232202 38 44 0 0 0 0 0 0 0 0999 V2000 0.1333 -1.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5544 -1.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6406 -1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -0.6711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0470 0.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 0.4849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9732 -2.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 0.1494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9755 -1.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8893 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.2696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1269 1.2696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4806 -3.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 -1.8272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8030 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.9840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4828 -1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 2.6985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3644 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 3.4130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9519 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 3.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 4.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 4.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 4.1274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1106 4.8419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 4.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 4.8419 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 2 0 0 0 0 6 3 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 6 0 0 0 9 4 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 6 14 1 6 0 0 0 15 7 1 6 0 0 0 16 9 1 6 0 0 0 11 17 2 0 0 0 0 18 11 1 0 0 0 0 12 19 1 6 0 0 0 13 20 1 1 0 0 0 15 21 1 0 0 0 0 22 16 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 1 0 0 0 26 29 2 0 0 0 0 30 27 1 0 0 0 0 27 31 1 1 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 6 0 0 0 35 30 1 0 0 0 0 33 36 2 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 9 12 1 1 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 18 20 1 1 0 0 0 26 27 1 0 0 0 0 33 35 1 0 0 0 0 35 34 1 6 0 0 0 M END > CHEBI:219240 > Aurisin K > 2 > (1R,2R,3S,4S,5R,7S,12S,14S,19S,21R,22S,23S)-9,12,17-trihydroxy-3,4,6,6,20,20,22,23-octamethyl-13-oxaheptacyclo[12.9.0.02,12.04,10.05,7.016,22.019,21]tricosa-9,16-diene-8,11,15,18-tetrone > C30H36O8 > 524.610 > 524.24102 > 0 > O=C1C2=C(O)C(=O)[C@H]3[C@@H]([C@@]2([C@@H](C)[C@H]4[C@@]1(O[C@@H]5C(=O)C6=C(O)C(=O)[C@H]7[C@@H]([C@@]6([C@H]([C@H]45)C)C)C7(C)C)O)C)C3(C)C > InChI=1S/C30H36O8/c1-9-11-12-10(2)29(8)16(20(34)19(33)15-24(29)27(15,5)6)25(36)30(12,37)38-22(11)21(35)13-17(31)18(32)14-23(26(14,3)4)28(9,13)7/h9-12,14-15,22-24,31,34,37H,1-8H3/t9-,10-,11+,12+,14-,15-,22-,23+,24+,28+,29+,30-/m0/s1 > RIBYBXVHBJUTBB-NAYZGCARSA-N $$$$