Mrv1652309032202112D 48 54 0 0 1 0 999 V2000 -3.5804 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -2.0658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 -1.2589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8396 -1.0039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2265 -1.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 -1.3010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1870 -0.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 1.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 1.8230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8575 2.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0008 1.5408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7760 1.8230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0034 2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 2.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1101 1.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 1.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 1.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 -1.7859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2255 -2.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 -3.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -2.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 -3.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -4.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 -3.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -5.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 -5.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 -5.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -5.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -6.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -5.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -4.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -3.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0834 -4.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -3.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 -4.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 -0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2812 0.3551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1097 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 0.1001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6789 0.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 -0.7068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0220 -0.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 6 5 1 6 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 3 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 6 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 2 0 0 0 0 17 19 1 0 0 0 0 14 19 1 1 0 0 0 13 20 1 0 0 0 0 20 21 3 0 0 0 0 21 22 1 0 0 0 0 7 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 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 37 40 2 0 0 0 0 40 41 1 0 0 0 0 28 41 2 0 0 0 0 33 41 1 0 0 0 0 4 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 1 0 0 0 43 45 1 0 0 0 0 45 46 1 1 0 0 0 45 47 1 0 0 0 0 3 47 1 0 0 0 0 47 48 1 1 0 0 0 M END > NP0165152 > NP-MRD > CN[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@H]1O[C@H]1[C@H](OC(=O)C2=C3C=C(OC)C=C(C)C3=CC=C2O)C=C2C#C[C@@]3(O[C@@H]3C#CCC12)[C@H]1COC(=O)O1 > InChI=1S/C35H35NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h8-9,12-14,17,21,24-26,28-31,33,36-39H,6,15H2,1-4H3/t17-,21?,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1 > BLXZMHNVKCEIJX-PNKAXBHOSA-N > C35H35NO12 > 661.66 > 661.215925571 > 11 > 83 > 67.49652398454164 > 0 > 4 > 0 > 0 > (4S,6R,11R,12R)-11-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy}-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.0^{4,6}]tridec-1(13)-en-2,7-diyn-12-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate > 1.89 > 3.905413973387994 > -4.34 > 1 > 7 > 1 > 12.96270154476187 > 9.519413760044976 > 8.099477437858923 > 174.76999999999998 > 166.6081 > 8 > 0 > 3.05e-02 g/l > (4S,6R,11R,12R)-11-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy}-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.0^{4,6}]tridec-1(13)-en-2,7-diyn-12-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate > 0 > NP0165152 > (4s,6r,11r,12r)-11-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy}-4-[(4r)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.0⁴,⁶]tridec-1(13)-en-2,7-diyn-12-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate $$$$