Mrv1652309122216172D 20 21 0 0 1 0 999 V2000 9.0803 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 -0.9382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0737 -1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5709 -2.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7787 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 -1.0903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0886 -1.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 -0.9923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6573 -1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5932 -0.2891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1887 0.2819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9921 1.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5765 0.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3687 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9517 0.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6217 -0.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 13 12 1 6 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 2 20 1 0 0 0 0 M END > NP0329684 > NP-MRD > C[C@@H]1CCC\C=C\[C@H]2C[C@@H](O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1 > InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m1/s1 > KQNZDYYTLMIZCT-SWGFJCPHSA-N > C16H24O4 > 280.364 > 280.167459253 > 3 > 44 > 30.71349934850605 > 1 > 2 > 0 > 1 > (1S,6R,11aR,13R,14aS)-1,13-dihydroxy-6-methyl-1H,4H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one > 2.007215907666666 > 0 > 2 > 0 > 15.306711740416187 > 14.419292983069475 > -2.699627942028208 > 66.76 > 78.74879999999999 > 0 > 1 > (1S,6R,11aR,13R,14aS)-1,13-dihydroxy-6-methyl-1H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one > 0 > NP0329684 > (1s,6r,11ar,13r,14as)-1,13-dihydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one $$$$