Mrv1652309122217422D 45 47 0 0 1 0 999 V2000 15.9432 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6577 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3722 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0866 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8011 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5156 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2300 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9445 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6590 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3734 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0879 -0.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0879 -1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8024 0.0187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8886 0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6956 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1081 0.2963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9286 0.2100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.4135 0.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2641 -0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0846 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4202 -1.3835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.9353 -2.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2407 -1.4698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.7927 -0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5464 -1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4601 -2.0127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0732 -2.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9017 -3.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5148 -3.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3433 -4.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9564 -5.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7848 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3979 -6.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2264 -7.4487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.4418 -7.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8395 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6680 -8.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2200 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8075 -10.1353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.1431 -10.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0005 -9.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9143 -9.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1998 -8.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6532 -2.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5561 -0.3168 0.0000 O 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 13 11 1 1 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 6 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 23 21 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 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 6 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 37 42 1 0 0 0 0 42 43 2 0 0 0 0 26 44 1 0 0 0 0 23 44 1 0 0 0 0 16 45 1 0 0 0 0 13 45 1 0 0 0 0 M END > NP0330395 > NP-MRD > CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1 > InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32-,33+,34-,35+,36+/m0/s1 > HKMBLJVHVBJAIH-FWWMILIYSA-N > C37H66O8 > 638.927 > 638.475769085 > 7 > 111 > 78.35080862984195 > 0 > 4 > 0 > 0 > (5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-5-methyl-2,5-dihydrofuran-2-one > 7.295473406333334 > 1 > 3 > 0 > 13.821468298464797 > 13.258257837995934 > -2.722022871174243 > 125.68 > 178.0661 > 25 > 0 > (5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-5-methyl-5H-furan-2-one > 0 > NP0330395 > (5s)-3-[(2r)-9-[(2r,5s)-5-[(1s,4r)-1,4-dihydroxy-4-[(2r,5r)-5-[(1r)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-5-methyl-5h-furan-2-one $$$$