Mrv1652309092220142D 40 46 0 0 1 0 999 V2000 1.5864 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 2.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 1.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9050 1.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0614 2.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1439 3.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 2.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 2.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9313 0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7806 0.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7749 -0.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 -0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -0.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 0.4256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0946 0.2014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3194 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 -1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 -1.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -1.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 -0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -0.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4576 0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6172 1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 1.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2107 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 1.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5103 2.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3498 1.6397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1838 0.9316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3587 1.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 1.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 1.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5588 2.8063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 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 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 4 16 2 0 0 0 0 10 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 19 17 1 6 0 0 0 3 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 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 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 25 32 1 0 0 0 0 20 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 35 33 1 6 0 0 0 3 35 1 0 0 0 0 35 36 1 0 0 0 0 20 36 1 0 0 0 0 36 37 1 6 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 M END > NP0288515 > NP-MRD > CO[C@]12[C@@H]3[C@@H](OC(C)=O)[C@]4(COC(=O)C5=C(O)C=C(C)C(C3=O)=C45)[C@H]1C(=O)C1=COC(=O)C3=C(O)C=C(C)C2=C13 > InChI=1S/C29H22O11/c1-9-5-14(32)18-20-15(9)23(34)21-25(40-11(3)30)28(20,8-39-27(18)36)24-22(33)12-7-38-26(35)17-13(31)6-10(2)19(16(12)17)29(21,24)37-4/h5-7,21,24-25,31-32H,8H2,1-4H3/t21-,24+,25+,28-,29+/m0/s1 > WBQDAYWQELBEPU-FTAQWXBTSA-N > C29H22O11 > 546.484 > 546.116211528 > 8 > 62 > 51.06977743652469 > 1 > 2 > 0 > 0 > (1R,2R,13S,14S,24R)-9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.1^{1,16}.1^{4,8}.0^{2,13}.0^{12,26}.0^{20,25}]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl acetate > 3.638080272333333 > 0 > 7 > 0 > 9.111553983413136 > 7.989877736572929 > -4.1856419493741335 > 162.73000000000002 > 135.40799999999996 > 3 > 0 > (1R,2R,13S,14S,24R)-9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.1^{1,16}.1^{4,8}.0^{2,13}.0^{12,26}.0^{20,25}]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl acetate > 0 > NP0288515 > (1r,2r,13s,14s,24r)-9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl acetate $$$$