Mrv1652309092221452D 28 32 0 0 1 0 999 V2000 0.2902 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 -0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4923 0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 0.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4728 -0.2245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2974 -0.1977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2558 -1.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 0.9519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2049 1.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 1.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 2.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 1.3763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3736 1.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 0.5292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0332 0.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 -0.3439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3050 -0.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 0.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 0.3911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1029 -0.3058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4650 -1.0261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0079 -1.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 -1.0827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6855 -1.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 6 0 0 0 8 10 1 6 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 6 0 0 0 11 23 1 0 0 0 0 17 23 1 0 0 0 0 24 23 1 6 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 1 0 0 0 M END > NP0289535 > NP-MRD > CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]23[C@@H]1[C@@H](O)[C@@H]4O > InChI=1S/C19H24O9/c1-7-4-9(20)28-14(7)16(2)5-8-18-6-26-17(3,12(22)10(21)11(16)18)19(18,25)13(23)15(24)27-8/h4,8,10-14,21-23,25H,5-6H2,1-3H3/t8-,10-,11-,12+,13+,14-,16+,17-,18-,19-/m1/s1 > MPQORNIUTLCOCZ-GCJYRNIXSA-N > C19H24O9 > 396.392 > 396.142032353 > 7 > 52 > 37.72511726823889 > 1 > 4 > 0 > 0 > (1R,2R,3R,6R,8S,9R,10R,11S,12R)-2,3,10,11-tetrahydroxy-8,12-dimethyl-8-[(2R)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]-5,13-dioxatetracyclo[7.5.0.0^{1,6}.0^{2,12}]tetradecan-4-one > -1.6718365949999996 > 0 > 5 > 0 > 11.353480990149718 > 8.007992103619593 > -3.317734119523502 > 142.75 > 90.17470000000002 > 1 > 1 > (1R,2R,3R,6R,8S,9R,10R,11S,12R)-2,3,10,11-tetrahydroxy-8,12-dimethyl-8-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-5,13-dioxatetracyclo[7.5.0.0^{1,6}.0^{2,12}]tetradecan-4-one > 0 > NP0289535 > (1r,2r,3r,6r,8s,9r,10r,11s,12r)-2,3,10,11-tetrahydroxy-8,12-dimethyl-8-[(2r)-3-methyl-5-oxo-2h-furan-2-yl]-5,13-dioxatetracyclo[7.5.0.0¹,⁶.0²,¹²]tetradecan-4-one $$$$