Mrv1652304282220182D 87 96 0 0 1 0 999 V2000 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4446 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 -0.4604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7008 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 0.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 -0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6865 0.4003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5822 1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 1.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 -2.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -2.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4254 -3.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 -4.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6769 -5.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3966 -5.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5845 -5.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 -5.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -4.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 1.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 0.0722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6072 0.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1390 -0.4133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8587 -1.1892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0466 -1.3344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5148 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 -2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2981 -2.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 -1.6747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4829 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2951 -0.7535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8269 -1.3843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5466 -2.1602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7345 -2.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0784 -2.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6390 -1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9193 -0.4631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3875 0.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6678 0.9435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4799 1.0887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0117 0.4580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7314 -0.3179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2632 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8238 0.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3557 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7602 1.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 2.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5087 3.2713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9769 3.9020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1647 3.7568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8844 2.9809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4163 2.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0723 2.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5405 3.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6329 4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2572 4.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3208 3.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5754 0.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0435 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9511 -0.2681 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 2 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 4 9 1 0 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 9 11 1 1 0 0 0 8 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 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 14 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 6 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 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 15 31 1 1 0 0 0 14 32 1 1 0 0 0 13 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 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 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 38 43 1 0 0 0 0 7 44 1 1 0 0 0 2 45 1 1 0 0 0 46 45 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 46 51 1 0 0 0 0 50 52 1 1 0 0 0 52 53 1 0 0 0 0 49 54 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 55 60 1 0 0 0 0 59 61 1 1 0 0 0 58 62 1 6 0 0 0 63 62 1 6 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 63 68 1 0 0 0 0 68 69 1 1 0 0 0 67 70 1 6 0 0 0 70 71 1 0 0 0 0 66 72 1 1 0 0 0 73 72 1 6 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 73 78 1 0 0 0 0 77 79 1 6 0 0 0 79 80 1 0 0 0 0 76 81 1 1 0 0 0 75 82 1 6 0 0 0 74 83 1 1 0 0 0 65 84 1 6 0 0 0 57 85 1 6 0 0 0 85 86 1 0 0 0 0 48 87 1 6 0 0 0 M END > NP0073046 > NP-MRD > CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](OC(=O)\C=C\C5=CC=CC=C5)[C@]5(C)[C@@](O)(CC[C@]5(O)[C@]4(O)CC=C3C2)[C@H](C)OC(=O)C2=CN=CC=C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC)[C@H]2O)[C@@H](C)O1 > InChI=1S/C63H89NO23/c1-32-52(85-47-28-41(76-8)53(33(2)79-47)86-58-51(70)55(77-9)54(34(3)80-58)87-57-50(69)49(68)48(67)42(31-65)83-57)40(75-7)27-46(78-32)82-39-20-21-59(5)38(26-39)19-22-62(73)43(59)29-44(84-45(66)18-17-36-14-11-10-12-15-36)60(6)61(72,23-24-63(60,62)74)35(4)81-56(71)37-16-13-25-64-30-37/h10-19,25,30,32-35,39-44,46-55,57-58,65,67-70,72-74H,20-24,26-29,31H2,1-9H3/b18-17+/t32-,33-,34-,35+,39+,40+,41+,42-,43-,44-,46+,47+,48-,49+,50-,51-,52-,53-,54-,55-,57+,58+,59+,60-,61-,62+,63-/m1/s1 > YWAGGVSQWDUWBG-LPHGVQFMSA-N > C63H89NO23 > 1228.389 > 1227.58253813 > 22 > 176 > 131.75855339886735 > 0 > 8 > 0 > 0 > (1S)-1-[(1R,2R,5S,10S,11R,14S,15R,16R)-10,11,14-trihydroxy-5-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,15-dimethyl-16-{[(2E)-3-phenylprop-2-enoyl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethyl pyridine-3-carboxylate > 2.07 > 3.2324307629999973 > -4.41 > 1 > 10 > 0 > 12.404108484521476 > 11.918549991576704 > 3.240142904549499 > 328.86 > 303.9096999999998 > 20 > 0 > 4.80e-02 g/l > (1S)-1-[(1R,2R,5S,10S,11R,14S,15R,16R)-10,11,14-trihydroxy-5-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,15-dimethyl-16-{[(2E)-3-phenylprop-2-enoyl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethyl pyridine-3-carboxylate > 0 > NP0073046 > (+)-Marstomentoside O $$$$