Mrv1652309072214282D 44 46 0 0 1 0 999 V2000 2.2300 -16.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -16.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 -15.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -14.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 -14.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 -13.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 -12.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3832 -12.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 -11.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -10.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4379 -10.1130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2225 -10.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -9.3061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5127 -8.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 -7.9785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7414 -7.2248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3289 -6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 -5.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6346 -6.2328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3491 -5.8203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3491 -4.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0636 -6.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7781 -5.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4925 -6.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 -5.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9215 -6.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6359 -5.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3504 -6.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0649 -5.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7794 -6.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4938 -5.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2083 -6.2328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9620 -5.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5140 -6.5103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3345 -6.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8194 -7.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6399 -7.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4838 -7.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1015 -7.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4371 -7.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2945 -7.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 -7.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8184 -8.6930 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 1 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 21 22 1 6 0 0 0 21 23 1 0 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 0 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 33 32 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 6 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 35 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 33 42 1 0 0 0 0 20 43 1 0 0 0 0 17 43 1 1 0 0 0 16 44 1 0 0 0 0 13 44 1 0 0 0 0 M END > NP0249807 > NP-MRD > CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H]1C[C@H](CC(C)=O)C(=O)O1 > InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30+,31+,32+,33+,34+,35-,36+/m0/s1 > KGGVWMAPBXIMEM-YWNYESAZSA-N > C37H66O7 > 622.928 > 622.480854465 > 6 > 110 > 78.0756230299005 > 0 > 2 > 0 > 0 > (3R,5R)-5-[(11R)-11-hydroxy-11-[(2R,2'S,5R,5'R)-5'-[(1R)-1-hydroxyundecyl]-[2,2'-bioxolane]-5-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one > 8.472050788999999 > 1 > 3 > 0 > 14.500804158429037 > 13.898978347148773 > -3.148665094183956 > 102.29 > 174.5437 > 25 > 0 > (3R,5R)-5-[(11R)-11-hydroxy-11-[(2R,2'S,5R,5'R)-5'-[(1R)-1-hydroxyundecyl]-[2,2'-bioxolane]-5-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one > 0 > NP0249807 > (3r,5r)-5-[(11r)-11-hydroxy-11-[(2r,2's,5r,5'r)-5'-[(1r)-1-hydroxyundecyl]-[2,2'-bioxolan]-5-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one $$$$