Mrv1652304282205432D 27 30 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 4.4464 -4.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9785 -3.4633 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 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 6 20 1 6 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 5 24 1 6 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 2 27 1 1 0 0 0 1 27 1 1 0 0 0 M END > NP0058365 > NP-MRD > C\C=C(\C)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/C20H24O7/c1-5-9(2)18(22)25-13-7-20(4)17(27-20)16-15(26-16)11(8-21)6-12-14(13)10(3)19(23)24-12/h5-6,12-17,21H,3,7-8H2,1-2,4H3/b9-5-,11-6-/t12-,13+,14-,15-,16-,17+,20-/m0/s1 > IHBNNBDZGJYLKN-DTEIUXQTSA-N > C20H24O7 > 376.405 > 376.152203113 > 5 > 51 > 37.690163112560846 > 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-methylbut-2-enoate > 1.85 > 1.5973992286666676 > -2.72 > 0 > 4 > 0 > 15.070675610376977 > -2.767886488021091 > 94.59 > 94.89739999999999 > 4 > 1 > 7.16e-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-methylbut-2-enoate > 0 > NP0058365 > Liscundin $$$$