CDK 9/10/12,15:49 34 38 0 0 0 0 0 0 0 0999 V2000 13.0573 -5.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0573 -6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6242 -5.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3072 -5.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3447 -4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3364 -6.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7655 -5.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6242 -6.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7696 -4.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7863 -4.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4989 -4.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6242 -4.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3531 -4.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0782 -3.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3364 -7.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0490 -7.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7738 -6.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2111 -4.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7946 -7.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4781 -6.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4906 -5.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -3.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 -4.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5573 -3.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 -6.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 -5.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3324 -7.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3365 -7.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0490 -8.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8699 -3.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6242 -6.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0865 -4.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7863 -3.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 1 7 1 1 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 6 15 1 1 0 0 0 16 8 1 0 0 0 0 17 15 1 0 0 0 0 2 18 1 1 0 0 0 19 11 2 0 0 0 0 20 17 2 0 0 0 0 7 21 1 1 0 0 0 9 22 1 1 0 0 0 12 23 1 1 0 0 0 3 24 1 1 0 0 0 13 25 1 1 0 0 0 26 16 1 0 0 0 0 27 24 1 0 0 0 0 28 16 1 0 0 0 0 29 16 1 0 0 0 0 30 17 1 0 0 0 0 31 23 1 0 0 0 0 8 32 1 1 0 0 0 5 33 1 1 0 0 0 10 34 1 1 0 0 0 11 10 1 0 0 0 0 14 13 1 0 0 0 0 12 4 1 0 0 0 0 6 8 1 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:67657 > Isoadenolin F, (rel)- > A natural product found in Isodon adenolomus. > 2 > C23H34O8 > 438.51130 > 438.22537 > 0 > [H][C@@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](OC(C)=O)[C@](O)(O[C@@H]5OC)[C@@]3([C@H](O)C1=C)[C@@H]2O > InChI=1S/C23H34O8/c1-10-12-9-13(25)14-21-8-6-7-20(3,4)15(21)18(30-11(2)24)23(28,31-19(21)29-5)22(14,16(10)26)17(12)27/h12-19,25-28H,1,6-9H2,2-5H3/t12-,13+,14+,15-,16-,17-,18+,19+,21-,22+,23+/m1/s1 > LFLIJTKINZDKGG-MJBJSSGESA-N > 21534539 $$$$