Mrv1533004171507412D 63 65 0 0 0 0 999 V2000 3.9687 -7.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 -6.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 -5.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -4.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 -5.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -5.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 -5.5011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -6.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 -4.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -5.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -5.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 -5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 -6.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 -7.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7521 -6.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 -6.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3374 -5.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5263 -6.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7245 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 -5.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5171 -5.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5355 -8.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7429 -8.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 -8.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -7.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -7.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 -6.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 -8.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5079 -7.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 -8.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 -9.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1116 -9.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5171 -8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9134 -10.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -10.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9226 -11.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 -11.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9318 -12.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5263 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 -12.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5171 -11.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 -12.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5447 -12.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7521 -12.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -13.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7429 -11.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3149 -10.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5437 -11.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1484 -10.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 -9.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5447 -9.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7521 -9.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3374 -8.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5202 -8.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 -10.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 -10.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5079 -10.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 -10.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8950 -8.2468 0.0000 C 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 1 0 0 0 0 4 5 1 0 0 0 0 6 4 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 31 29 1 4 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 4 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 39 44 1 0 0 0 0 41 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 54 57 1 0 0 0 0 27 57 1 0 0 0 0 57 58 1 0 0 0 0 52 59 1 0 0 0 0 59 60 1 0 0 0 0 37 61 1 0 0 0 0 61 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > NP0182079 > NP-MRD > COC(C(C)C=CN(C)C=O)C(C)C(=O)CCC(C)C(OC(C)=O)C(C)C1OC(=O)C=CC(C)=CC(O)C(CC2OC(CC=C2)CC(OC)C2(CO2)C(CC(OC)C1C)OC)OC > InChI=1S/C48H77NO14/c1-29-17-20-44(54)63-47(34(6)46(61-35(7)51)30(2)18-19-38(52)32(4)45(59-13)31(3)21-22-49(8)28-50)33(5)40(55-9)26-43(58-12)48(27-60-48)42(57-11)25-37-16-14-15-36(62-37)24-41(56-10)39(53)23-29/h14-15,17,20-23,28,30-34,36-37,39-43,45-47,53H,16,18-19,24-27H2,1-13H3 > XRFUHBYDYDAOID-UHFFFAOYSA-N > C48H77NO14 > 892.137 > 891.534406163 > 12 > 140 > 97.50683908327832 > 0 > 1 > 0 > 0 > 2-{16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl}-9-methoxy-4,8,10-trimethyl-12-(N-methylformamido)-7-oxododec-11-en-3-yl acetate > 4.36 > 4.298556328333335 > -5.63 > 1 > 3 > 0 > 18.926351436833034 > 13.801049033355326 > -3.3232197292838395 > 178.11999999999998 > 240.16679999999994 > 18 > 0 > 2.10e-03 g/l > 2-{16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl}-9-methoxy-4,8,10-trimethyl-12-(N-methylformamido)-7-oxododec-11-en-3-yl acetate > 0 > NP0182079 > 2-{16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl}-9-methoxy-4,8,10-trimethyl-12-(n-methylformamido)-7-oxododec-11-en-3-yl acetate $$$$