Mrv1652309062203032D 30 31 0 0 1 0 999 V2000 4.2780 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 -2.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 -1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 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 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7111 1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 1.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 6 0 0 0 14 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 17 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 22 30 1 0 0 0 0 30 2 1 1 0 0 0 6 30 1 0 0 0 0 M END > NP0223068 > NP-MRD > CC(C)CC(=O)O[C@H]1[C@@H]2[C@@H](C\C(C)=C/CC(=O)[C@](C)(O)[C@@H]1OC(C)=O)OC(=O)C2=C > InChI=1S/C22H30O8/c1-11(2)9-17(25)30-19-18-13(4)21(26)29-15(18)10-12(3)7-8-16(24)22(6,27)20(19)28-14(5)23/h7,11,15,18-20,27H,4,8-10H2,1-3,5-6H3/b12-7-/t15-,18+,19+,20-,22+/m1/s1 > IKFDEHNFEZTBGE-MWPXYMQFSA-N > C22H30O8 > 422.474 > 422.194067926 > 5 > 60 > 43.42850731882272 > 1 > 1 > 0 > 1 > (3aS,4S,5R,6R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,6H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl 3-methylbutanoate > 2.367425753666666 > 0 > 2 > 0 > 14.03914533061635 > 12.18607601697826 > -4.017866335480556 > 116.20000000000002 > 106.25239999999998 > 6 > 1 > (3aS,4S,5R,6R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3aH,4H,5H,8H,11H,11aH-cyclodeca[b]furan-4-yl 3-methylbutanoate > 0 > NP0223068 > (3as,4s,5r,6r,11ar)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,8h,11h,11ah-cyclodeca[b]furan-4-yl 3-methylbutanoate $$$$