Mrv1652304292202402D 44 45 0 0 1 0 999 V2000 6.8653 -9.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4528 -8.4226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0048 -7.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7585 -8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6722 -8.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2853 -9.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4729 -7.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1874 -8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9019 -7.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9019 -6.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6163 -8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3308 -7.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0453 -8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7598 -7.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4742 -8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1887 -7.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9032 -8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6176 -7.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3321 -8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0466 -7.7326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0466 -6.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7611 -8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4755 -7.7326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4755 -6.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1900 -8.1451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9437 -7.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4957 -8.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0832 -9.1371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2762 -8.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4188 -9.8908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2392 -9.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5748 -10.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3953 -10.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7308 -11.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5513 -11.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8869 -12.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7074 -12.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0429 -13.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8634 -13.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1990 -14.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0194 -14.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3550 -14.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9338 -10.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6323 -8.3364 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 2 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 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 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 25 23 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 25 29 1 0 0 0 0 28 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 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 30 43 1 1 0 0 0 2 44 1 1 0 0 0 M END > NP0079663 > NP-MRD > CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)C[C@@H](O)CCCCCCCCCC(=O)CCC1=C[C@H](C)OC1=O > InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)28-32(39)21-18-15-12-10-11-14-17-20-31(38)24-23-30-27-29(2)43-37(30)42/h27,29,32-36,39-41H,3-26,28H2,1-2H3/t29-,32-,33+,34+,35+,36+/m0/s1 > ZGJBROCWEAASGS-LIVKZWAYSA-N > C37H66O7 > 622.928 > 622.480854465 > 6 > 110 > 78.68537656817819 > 0 > 3 > 0 > 0 > (5S)-3-[(13S,15R)-13,15-dihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-3-oxopentadecyl]-5-methyl-2,5-dihydrofuran-2-one > 7.18 > 8.730098763666664 > -5.95 > 0 > 2 > 0 > 13.943188325103375 > 13.31230566069896 > -2.722962569593337 > 113.29000000000002 > 177.4735 > 28 > 0 > 6.99e-04 g/l > (5S)-3-[(13S,15R)-13,15-dihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-3-oxopentadecyl]-5-methyl-5H-furan-2-one > 0 > NP0079663 > (+)-Tonkinin B $$$$