Mrv1652304282205432D 31 34 0 0 1 0 999 V2000 2.0492 0.2398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7008 0.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5254 0.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4879 -0.4671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2582 -1.2595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6066 -1.7656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7821 -1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 -1.3286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8195 -0.5526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2874 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 -2.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 -2.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3544 -3.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 -3.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 -3.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 -4.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4464 -4.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7263 -4.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5383 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8183 -5.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 -4.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9408 -1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 -2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 -1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -0.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 2.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 1.0571 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 6 0 0 0 9 11 1 0 0 0 0 9 12 1 1 0 0 0 7 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 6 24 1 6 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 5 28 1 6 0 0 0 3 29 1 0 0 0 0 29 30 1 0 0 0 0 2 31 1 1 0 0 0 1 31 1 1 0 0 0 M END > NP0058366 > NP-MRD > C\C=C(\COC(C)=O)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2[C@H]2O[C@H]2\C(CO)=C/[C@@H]2OC(=O)C(=C)[C@H]12 > InChI=1S/C22H26O9/c1-5-12(9-27-11(3)24)21(26)29-15-7-22(4)19(31-22)18-17(30-18)13(8-23)6-14-16(15)10(2)20(25)28-14/h5-6,14-19,23H,2,7-9H2,1,3-4H3/b12-5-,13-6-/t14-,15+,16-,17-,18-,19+,22-/m0/s1 > XUMWIQSSHLAZBI-NUGUAHLDSA-N > C22H26O9 > 434.441 > 434.157682417 > 6 > 57 > 42.3003532378583 > 1 > 1 > 0 > 1 > (1R,2R,4S,6R,7S,9S,10Z,12S)-10-(hydroxymethyl)-4-methyl-15-methylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0^{4,6}.0^{7,9}]pentadec-10-en-2-yl (2Z)-2-[(acetyloxy)methyl]but-2-enoate > 1.30 > 0.7577534823333346 > -2.97 > 1 > 4 > 0 > 15.070675610376952 > -2.7678864880211016 > 120.89 > 105.82359999999998 > 7 > 1 > 4.62e-01 g/l > (1R,2R,4S,6R,7S,9S,10Z,12S)-10-(hydroxymethyl)-4-methyl-15-methylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0^{4,6}.0^{7,9}]pentadec-10-en-2-yl (2Z)-2-[(acetyloxy)methyl]but-2-enoate > 0 > NP0058366 > Liscunditrin $$$$