Mrv1533004191516512D 32 34 0 0 0 0 999 V2000 1.5993 4.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 3.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 3.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3702 2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 2.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 4.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 3.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 4.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 4.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 4.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 4.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 1.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 2.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 2.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3526 3.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3954 2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 0.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0935 0.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6694 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 0.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 2.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 2.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0765 3.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4269 3.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 4.5597 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 1 0 0 0 0 6 7 2 0 0 0 0 8 6 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 4 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 2 31 1 0 0 0 0 31 32 2 0 0 0 0 M END > NP0330211 > NP-MRD > CC1CC(OC(=O)C=C(C)CO)C2=C(COC(C)=O)C(=O)OC2C2OC2(C)C(=O)CC1=O > InChI=1S/C22H26O10/c1-10(8-23)5-17(27)30-15-6-11(2)14(25)7-16(26)22(4)20(32-22)19-18(15)13(21(28)31-19)9-29-12(3)24/h5,11,15,19-20,23H,6-9H2,1-4H3 > MKWBOZVGZYXHLM-UHFFFAOYSA-N > C22H26O10 > 450.44 > 450.152597037 > 7 > 58 > 43.96954304515172 > 1 > 1 > 0 > 1 > 12-[(acetyloxy)methyl]-4,8-dimethyl-5,7,13-trioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 4-hydroxy-3-methylbut-2-enoate > 1.04 > 1.2400622809999997 > -2.66 > 1 > 3 > 0 > 9.901257685421731 > 8.884649879198138 > -2.755468008510686 > 145.8 > 107.6612 > 7 > 1 > 9.87e-01 g/l > 12-[(acetyloxy)methyl]-4,8-dimethyl-5,7,13-trioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 4-hydroxy-3-methylbut-2-enoate > 0 > NP0330211 > 12-[(acetyloxy)methyl]-4,8-dimethyl-5,7,13-trioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 4-hydroxy-3-methylbut-2-enoate $$$$