Mrv1652304282222262D 45 48 0 0 1 0 999 V2000 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3819 -1.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 -2.5070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3020 -2.5070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0470 -1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -4.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3088 -3.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -2.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4582 -5.0906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7938 -4.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9431 -5.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7636 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2485 -6.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 -6.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4046 -5.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9196 -4.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 -4.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2552 -4.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7703 -3.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -5.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5606 -4.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 -6.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3744 -6.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -5.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1665 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 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 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 1 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 6 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 28 29 1 0 0 0 0 8 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 1 1 0 0 0 2 33 1 1 0 0 0 1 34 1 1 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 34 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 37 42 1 0 0 0 0 42 43 1 0 0 0 0 36 44 1 0 0 0 0 44 45 1 0 0 0 0 M END > NP0075146 > NP-MRD > COC1=CC(C[C@@H](C)OC2=C(OC)C=C(C=C2OC)[C@H]2O[C@H]([C@@H](C)[C@H]2C)C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC > InChI=1S/C35H46O10/c1-19(12-22-13-25(36-4)33(42-10)26(14-22)37-5)44-35-29(40-8)17-24(18-30(35)41-9)32-21(3)20(2)31(45-32)23-15-27(38-6)34(43-11)28(16-23)39-7/h13-21,31-32H,12H2,1-11H3/t19-,20+,21-,31-,32+/m1/s1 > TUBIIAQMYMFEQR-MADHFSKZSA-N > C35H46O10 > 626.743 > 626.309097681 > 10 > 91 > 68.19418141893158 > 0 > 0 > 0 > 0 > (2S,3R,4S,5R)-2-(3,5-dimethoxy-4-{[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane > 5.54 > 5.839440885000002 > -6.15 > 1 > 4 > 0 > -3.8419149749520334 > 92.30000000000003 > 170.01749999999993 > 14 > 0 > 4.47e-04 g/l > (2S,3R,4S,5R)-2-(3,5-dimethoxy-4-{[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane > 0 > NP0075146 > (+)-Bonaspectin B $$$$