Mrv0541 03111516202D 35 38 0 0 0 0 999 V2000 6.0542 -6.8099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7682 -5.5823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0500 -5.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7682 -7.2232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3402 -5.5657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0709 -3.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 -4.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.3340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7765 -4.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 -7.2232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4822 -5.9832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7347 -3.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4884 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -7.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4863 -6.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7682 -8.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 -2.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4863 -8.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4029 -3.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 -9.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6263 -5.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -8.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6263 -6.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9769 -1.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 -8.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0271 -9.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7598 -6.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3444 -8.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6221 -7.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -7.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 -5.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4863 -9.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2672 -9.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 -5.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 -6.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 8 6 1 1 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 15 1 0 0 0 0 12 6 2 0 0 0 0 13 12 1 0 0 0 0 1 14 1 6 0 0 0 15 4 1 0 0 0 0 4 16 1 6 0 0 0 17 19 1 0 0 0 0 18 16 1 0 0 0 0 19 6 1 0 0 0 0 20 22 1 0 0 0 0 21 5 1 0 0 0 0 22 14 1 0 0 0 0 23 10 1 0 0 0 0 24 13 2 0 0 0 0 25 18 2 0 0 0 0 26 20 2 0 0 0 0 2 27 1 6 0 0 0 28 10 1 0 0 0 0 10 29 1 1 0 0 0 30 29 1 0 0 0 0 11 31 1 6 0 0 0 32 18 1 0 0 0 0 33 20 1 0 0 0 0 3 34 1 1 0 0 0 5 35 1 6 0 0 0 23 21 1 0 0 0 0 2 11 1 0 0 0 0 7 8 1 0 0 0 0 17 13 1 0 0 0 0 M END > CHEBI:69868 > ajugaciliatin G > A diterpene lactone isolated from the whole plants of Ajuga ciliata. > 3 > (12R)-6alpha,19-diacetoxy-1beta,12-epoxy-4alpha,18-dihydroxyneo-clerod-13-en-15,16-olide > [(2R,3aS,4R,6S,6aR,7R,9aR,9bR)-6-(acetyloxy)-7-hydroxy-7-(hydroxymethyl)-3a,4-dimethyl-2-(5-oxo-2,5-dihydrofuran-3-yl)decahydronaphtho[1,8-bc]pyran-6a(4H)-yl]methyl acetate > C24H34O9 > 466.52140 > 466.22028 > 0 > C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]3[C@@H](CC[C@]2(O)CO)O[C@H](C[C@@]13C)C1=CC(=O)OC1 > InChI=1S/C24H34O9/c1-13-7-19(32-15(3)27)24(12-31-14(2)26)21-17(5-6-23(24,29)11-25)33-18(9-22(13,21)4)16-8-20(28)30-10-16/h8,13,17-19,21,25,29H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1 > ROPQJIBJNYFSAT-ILXDFJSXSA-N > 21728540 > 21682262 $$$$