CDK 1030232202 17 19 0 0 0 0 0 0 0 0999 V2000 0.6884 1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8239 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4673 -0.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5168 0.9525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2147 0.6567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5912 0.0552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2863 -0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 1.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2897 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0384 -0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 1.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 2.0530 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 6 11 1 0 0 0 0 8 12 1 6 0 0 0 9 13 1 1 0 0 0 10 14 1 6 0 0 0 10 15 1 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 11 15 1 0 0 0 0 M END > CHEBI:219001 > Cycloarthropsadiol C > 2 > (1S,6S,8R)-1,8-dihydroxy-3-methyl-6-[(E)-prop-1-enyl]-2,4-dioxatricyclo[3.3.1.13,7]decan-10-one > C12H16O5 > 240.255 > 240.09977 > 0 > O=C1C2(O[C@@]3(O)CC(O2)[C@H](C1[C@H]3O)/C=C/C)C > InChI=1S/C12H16O5/c1-3-4-6-7-5-12(15)10(14)8(6)9(13)11(2,16-7)17-12/h3-4,6-8,10,14-15H,5H2,1-2H3/b4-3+/t6-,7?,8?,10-,11?,12+/m1/s1 > APIXJZVCGREBPH-DHOURAJPSA-N $$$$