Mrv1652309032216542D 27 29 0 0 1 0 999 V2000 -0.9578 1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 1.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0325 0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 1.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4222 1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6256 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 2.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 3.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8323 1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 0.7063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8755 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 -0.4143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8722 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.4739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2013 -2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2105 -2.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2712 0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -1.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 -0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 -1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 16 15 1 1 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 1 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 13 23 1 0 0 0 0 23 24 2 0 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 5 26 1 0 0 0 0 26 27 2 0 0 0 0 M END > NP0177121 > NP-MRD > CCOCC1=C2[C@H](C[C@@]3(C)O[C@@]2(C[C@](C)(O)CCC3=O)OC1=O)OC(C)=O > InChI=1S/C19H26O8/c1-5-24-9-12-15-13(25-11(2)20)8-18(4)14(21)6-7-17(3,23)10-19(15,27-18)26-16(12)22/h13,23H,5-10H2,1-4H3/t13-,17+,18+,19+/m0/s1 > HTTGOAQYHMWMPA-JGNHQEBTSA-N > C19H26O8 > 382.409 > 382.162767797 > 6 > 53 > 38.734432888042264 > 1 > 1 > 0 > 1 > (1S,6S,8R,12R)-4-(ethoxymethyl)-12-hydroxy-8,12-dimethyl-3,9-dioxo-2,14-dioxatricyclo[6.5.1.0^{1,5}]tetradec-4-en-6-yl acetate > 1.1163351186666675 > 0 > 3 > 0 > 16.861287196491606 > 14.83501981739223 > -2.8619428222852914 > 108.36000000000001 > 92.58459999999998 > 5 > 1 > (1S,6S,8R,12R)-4-(ethoxymethyl)-12-hydroxy-8,12-dimethyl-3,9-dioxo-2,14-dioxatricyclo[6.5.1.0^{1,5}]tetradec-4-en-6-yl acetate > 0 > NP0177121 > (1s,6s,8r,12r)-4-(ethoxymethyl)-12-hydroxy-8,12-dimethyl-3,9-dioxo-2,14-dioxatricyclo[6.5.1.0¹,⁵]tetradec-4-en-6-yl acetate $$$$