Mrv0541 11141312232D 42 45 0 0 0 0 999 V2000 19.3521 -25.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6190 -24.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3521 -26.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3554 -23.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3597 -24.3163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0907 -23.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1999 -24.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6275 -24.8551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0506 -24.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7732 -25.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7725 -26.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9197 -25.2735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9197 -26.0945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6292 -26.4984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3386 -25.2735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3385 -26.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1203 -26.3471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6052 -25.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1185 -25.0182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5373 -24.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5319 -27.0597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3528 -27.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2047 -24.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1225 -27.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9364 -27.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6285 -27.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9149 -27.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3603 -26.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9444 -26.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9432 -25.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4177 -24.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1878 -26.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2034 -24.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4696 -23.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9360 -23.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4534 -26.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 -26.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4509 -25.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0465 -28.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5112 -28.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9326 -29.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6646 -28.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 8 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 15 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 20 5 1 0 0 0 0 21 22 1 0 0 0 0 5 10 1 0 0 0 0 22 11 1 0 0 0 0 12 23 1 6 0 0 0 21 24 1 6 0 0 0 10 2 1 1 0 0 0 21 25 1 0 0 0 0 14 26 1 1 0 0 0 26 27 1 0 0 0 0 16 28 1 1 0 0 0 17 29 1 6 0 0 0 19 30 1 6 0 0 0 15 31 1 1 0 0 0 5 6 1 6 0 0 0 13 32 1 6 0 0 0 1 2 1 0 0 0 0 23 33 1 0 0 0 0 33 34 1 0 0 0 0 1 3 2 0 0 0 0 33 35 2 0 0 0 0 8 7 1 0 0 0 0 32 36 1 0 0 0 0 8 9 1 1 0 0 0 36 37 1 0 0 0 0 7 9 1 0 0 0 0 36 38 2 0 0 0 0 5 4 1 0 0 0 0 26 39 1 0 0 0 0 11 10 1 0 0 0 0 25 40 1 0 0 0 0 12 13 1 0 0 0 0 40 41 1 0 0 0 0 12 8 1 0 0 0 0 40 42 2 0 0 0 0 M END > CHEBI:68958 > klymollin H > An eunicellin diterpenoid isolated from the soft coral Klyxum molle. > 3 > (1S,2S,3S,4R,4aR,5R,6R,9S,10S,12R,12aS)-9-(formyloxy)-10-hydroxy-6,10-dimethyl-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxirane]-2,3,6-triyl triacetate > C27H40O11 > 540.59990 > 540.25706 > 0 > CC(C)[C@@H]1[C@H]2[C@H]3O[C@H](C[C@](C)(O)[C@H](CC[C@@]3(C)OC(C)=O)OC=O)[C@H]2[C@]2(CO2)[C@@H](OC(C)=O)[C@H]1OC(C)=O > InChI=1S/C27H40O11/c1-13(2)19-20-21(27(11-34-27)24(36-15(4)30)22(19)35-14(3)29)17-10-25(6,32)18(33-12-28)8-9-26(7,23(20)37-17)38-16(5)31/h12-13,17-24,32H,8-11H2,1-7H3/t17-,18+,19-,20-,21-,22+,23-,24+,25+,26-,27-/m1/s1 > PJSHPOHLUBKHTG-ADWFZQLOSA-N > 22123643 > 22004052 $$$$