6917655 -OEChem-10051719593D 67 69 0 1 0 0 0 0 0999 V2000 4.8410 -0.2798 -2.1556 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 0.9454 1.7517 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 -1.9143 -1.8486 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 -1.3968 0.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 -3.1185 0.7567 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4667 1.1314 -0.1173 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0499 2.8114 -0.7054 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 -0.4368 -0.2048 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2352 -0.1520 1.2849 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7381 -0.3071 -0.7262 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2020 0.9191 -1.4574 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7707 -1.8558 -0.5067 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6194 1.1486 1.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 -1.3422 2.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6222 -2.2630 0.4274 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0247 -2.2373 1.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 -1.1984 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6409 1.2580 -1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 1.8093 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -3.2538 -2.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 -1.9646 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2548 3.0860 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5732 4.1607 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8883 3.5684 1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 -0.9258 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0422 -1.2261 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0947 -0.2590 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3975 -0.5535 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4879 0.3671 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7908 0.0723 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8459 1.0223 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1451 0.7194 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2437 1.6656 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6935 0.2900 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 1.7724 -1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5522 -2.6098 -0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 1.1676 2.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 1.8332 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.9212 2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -1.0423 3.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3235 -3.2905 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -3.2524 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 -1.9016 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3826 -2.2202 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0241 -0.7893 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6378 -1.3122 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 0.3937 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7777 1.9700 -2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7585 1.0705 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 -3.7905 -2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -3.7933 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 -3.2249 -3.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0246 3.8012 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 4.8876 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 4.6904 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 2.7503 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 4.0100 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 4.3231 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 0.0671 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 -2.2281 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7944 0.7424 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 -1.5594 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1994 1.3664 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0896 -0.9233 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5485 2.0138 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4468 -0.2710 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1854 1.7715 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 5 21 2 0 0 0 0 6 33 1 0 0 0 0 6 67 1 0 0 0 0 7 33 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 28 2 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 30 2 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 M END > DB02640 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NGGMYCMLYOUNGM-CSDLUJIJSA-N/SDF?record_type=3d > CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O > InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1 > NGGMYCMLYOUNGM-CSDLUJIJSA-N > C26H34O7 > 458.551 > 458.230453435 > 6 > 67 > 51.132769198335275 > 1 > 1 > 0 > 1 > (2E,4E,6E,8E)-10-{[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy}-10-oxodeca-2,4,6,8-tetraenoic acid > 4.61 > 4.048655004333334 > -5.14 > 1 > 3 > -1 > 4.884221257749687 > -3.7145709603878383 > 97.88999999999999 > 128.3748 > 11 > 1 > 3.30e-03 g/l > fumagillin > 0 $$$$