CDK 9/10/12,15:49 34 38 0 0 0 0 0 0 0 0999 V2000 -1.7167 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -14.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -14.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4667 -14.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -14.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0042 -13.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -14.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -12.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -15.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -13.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -13.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -12.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -12.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 -15.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -12.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 -11.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -15.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -13.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -10.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -14.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -14.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -16.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 -12.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 -13.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -14.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -14.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4417 -16.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 -15.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -11.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9042 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -15.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -13.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -12.0375 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 1 6 1 1 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 13 16 1 1 0 0 0 17 16 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 6 21 1 1 0 0 0 7 22 1 1 0 0 0 10 23 1 1 0 0 0 12 24 1 1 0 0 0 3 25 1 1 0 0 0 26 15 1 0 0 0 0 27 25 1 0 0 0 0 28 15 1 0 0 0 0 29 15 1 0 0 0 0 30 17 1 0 0 0 0 31 24 1 0 0 0 0 8 32 1 1 0 0 0 5 33 1 1 0 0 0 9 34 1 1 0 0 0 11 9 1 0 0 0 0 10 8 1 0 0 0 0 14 13 1 0 0 0 0 12 4 1 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:67658 > Isoadenolin G, (rel)- > A natural product found in Isodon adenolomus. > 2 > C23H34O8 > 438.51130 > 438.22537 > 0 > [H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](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(30-11(2)24)14-21-8-6-7-20(3,4)15(21)18(27)23(28,31-19(21)29-5)22(14,16(10)25)17(12)26/h12-19,25-28H,1,6-9H2,2-5H3/t12-,13+,14+,15-,16-,17-,18+,19+,21-,22+,23+/m1/s1 > ZXTOBFVGAFEONZ-MJBJSSGESA-N > 21534539 $$$$