Mrv1652306202101463D 64 70 0 0 0 0 999 V2000 -3.6392 -3.8242 1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1072 -3.5972 1.0943 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4781 -4.6814 0.2171 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5027 -4.4415 -1.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 -3.2240 -1.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 -3.0519 -2.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1447 -2.1078 -0.9296 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8093 -2.1716 0.5575 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4026 -1.5929 0.9492 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7984 -2.2727 0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2163 -1.8001 2.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 -2.7900 3.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 -3.8167 2.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8449 -4.8390 3.1553 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4948 -0.7872 3.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6565 0.2460 2.0860 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3615 -0.0409 0.9722 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0932 0.8952 -0.2499 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7428 0.2997 -1.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 1.2128 -0.8174 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 2.1956 0.2801 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9424 2.2850 0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 3.3250 -0.4995 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1120 4.5619 0.3510 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0116 4.0206 1.8086 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5836 5.0315 2.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 4.8296 4.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 6.0186 4.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 6.9500 3.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 6.3518 2.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 2.7271 1.6648 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3888 3.1294 1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 1.6403 2.7318 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6112 1.5530 3.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1319 -3.0638 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 -3.7993 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8905 -4.7977 1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 -4.8749 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -5.6407 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2321 -2.1225 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8065 -1.1652 -1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 -1.5064 1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9547 -3.2918 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -1.7482 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 -2.3374 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -2.8847 4.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 0.1792 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3455 0.2557 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 -0.5290 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7307 -0.0283 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 1.0387 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2233 1.8021 -1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 3.4480 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 5.1476 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2541 5.1868 0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 3.7031 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 3.9218 4.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1429 6.3463 5.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 6.9891 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7015 3.6032 2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 3.8301 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0482 2.2707 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 1.8933 3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4755 0.7108 4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 24 25 1 0 0 0 0 21 22 1 1 0 0 0 23 22 1 0 0 0 0 25 31 1 0 0 0 0 18 19 1 0 0 0 0 17 16 1 0 0 0 0 9 10 1 6 0 0 0 31 21 1 0 0 0 0 25 26 1 0 0 0 0 33 34 1 0 0 0 0 16 33 1 0 0 0 0 31 32 1 6 0 0 0 16 15 1 0 0 0 0 17 48 1 1 0 0 0 15 11 1 0 0 0 0 2 1 1 1 0 0 0 26 30 2 0 0 0 0 9 17 1 0 0 0 0 9 11 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 30 29 1 0 0 0 0 29 28 1 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 31 33 1 0 0 0 0 18 20 1 6 0 0 0 8 2 1 0 0 0 0 21 23 1 0 0 0 0 9 8 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 2 1 0 0 0 0 23 24 1 0 0 0 0 8 7 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 5 7 1 0 0 0 0 13 14 2 0 0 0 0 5 6 2 0 0 0 0 33 63 1 1 0 0 0 23 53 1 6 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 1 0 0 0 16 47 1 6 0 0 0 12 46 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 34 64 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 30 59 1 0 0 0 0 28 58 1 0 0 0 0 27 57 1 0 0 0 0 20 52 1 0 0 0 0 8 42 1 1 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 M END > NP0033161 > NP-MRD > [H]O[C@@]1([H])[C@@]2([H])OC3=C([H])C(=O)[C@]4(C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])[C@]4([H])[C@@]3(C([H])([H])[H])[C@]2([H])[C@](O[H])(C([H])([H])[H])[C@@]23O[C@]2([H])C([H])([H])[C@@]([H])(C2=C([H])OC([H])=C2[H])[C@]13C([H])([H])[H] > InChI=1S/C26H30O8/c1-22-11-32-18(28)8-14(22)23(2)16(9-15(22)27)33-19-20(23)25(4,30)26-17(34-26)7-13(12-5-6-31-10-12)24(26,3)21(19)29/h5-6,9-10,13-14,17,19-21,29-30H,7-8,11H2,1-4H3/t13-,14-,17+,19-,20+,21-,22+,23+,24+,25+,26+/m0/s1 > FJVMSNLUPRUNSI-ONDSWHOJSA-N > C26H30O8 > 470.518 > 470.194067926 > 6 > 64 > 47.899841754281596 > 1 > 2 > 0 > 1 > (1S,2S,3R,8S,13S,14R,15R,16R,18R,20S,21R)-16-(furan-3-yl)-14,21-dihydroxy-2,8,15,21-tetramethyl-6,12,19-trioxahexacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{15,20}.0^{18,20}]henicos-10-ene-5,9-dione > 2.22 > 0.8922216369999991 > -3.39 > 0 > 7 > 0 > 13.855607779825764 > 13.226919631395134 > -2.785991751232659 > 118.73000000000002 > 117.67850000000003 > 1 > 1 > 1.92e-01 g/l > (1S,2S,3R,8S,13S,14R,15R,16R,18R,20S,21R)-16-(furan-3-yl)-14,21-dihydroxy-2,8,15,21-tetramethyl-6,12,19-trioxahexacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{15,20}.0^{18,20}]henicos-10-ene-5,9-dione > 0 > NP0033161 > toonaciliatin B $$$$