Mrv1652304292203562D 85 93 0 0 1 0 999 V2000 8.8587 -1.1892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0466 -1.3344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5148 -0.7037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7951 0.0722 0.0000 C 0 0 1 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 2 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 10.4829 -0.8988 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 6.4511 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 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 4.8269 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 2 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 6.5311 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 2.0051 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 2 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 0 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 1 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 1.0596 -0.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4083 -0.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 -0.5974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4687 -1.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -1.7256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8843 -1.2192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7714 -0.4020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0072 -0.0911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8944 0.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 -1.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -2.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 -3.6709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5715 -4.1773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8073 -3.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 -4.9945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4485 -5.3054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0998 -4.7991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9870 -3.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -5.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 -5.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7411 -6.2381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8539 -7.0553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2026 -7.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6181 -7.3662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2694 -6.8599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1566 -6.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3924 -5.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0336 -7.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7309 -8.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5614 -6.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -5.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 -1.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 -2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 -2.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -3.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 -3.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 -3.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 1.5170 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 6.7026 -0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 -1.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9542 -2.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 -3.0315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8618 -3.1767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3299 -2.5460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6102 -1.7701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0784 -1.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 -2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 -3.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 -3.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9254 -4.4381 0.0000 O 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 9.3905 -1.8199 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 1 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 4 9 1 6 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 24 23 1 6 0 0 0 24 25 1 0 0 0 0 20 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 24 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 1 0 0 0 31 30 1 6 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 0 0 0 0 35 36 1 0 0 0 0 31 36 1 0 0 0 0 36 37 1 1 0 0 0 35 38 1 6 0 0 0 34 39 1 1 0 0 0 33 40 1 6 0 0 0 40 41 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 6 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 42 48 1 0 0 0 0 47 49 1 1 0 0 0 49 50 1 0 0 0 0 51 50 1 6 0 0 0 51 52 1 0 0 0 0 52 53 1 6 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 51 57 1 0 0 0 0 55 58 1 6 0 0 0 54 59 1 6 0 0 0 46 60 1 6 0 0 0 45 61 1 1 0 0 0 29 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 29 68 1 1 0 0 0 25 69 1 6 0 0 0 20 70 1 1 0 0 0 13 71 1 1 0 0 0 3 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 78 79 1 1 0 0 0 77 80 1 6 0 0 0 76 81 1 1 0 0 0 75 82 1 6 0 0 0 82 83 1 0 0 0 0 2 84 1 6 0 0 0 1 85 1 1 0 0 0 M END > NP0080959 > NP-MRD > CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C > InChI=1S/C59H100O26/c1-25(2)10-9-16-59(8,85-53-48(75)43(70)40(67)32(82-53)24-78-51-46(73)42(69)39(66)31(81-51)23-77-50-45(72)36(63)28(62)22-76-50)27-13-18-57(6)26(27)11-12-34-56(5)17-15-35(55(3,4)33(56)14-19-58(34,57)7)83-54-49(44(71)38(65)30(21-61)80-54)84-52-47(74)41(68)37(64)29(20-60)79-52/h10,26-54,60-75H,9,11-24H2,1-8H3/t26-,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52+,53+,54+,56+,57-,58-,59+/m1/s1 > LKDAHGOPAGKHQL-USRYQCAESA-N > C59H100O26 > 1225.423 > 1224.65028334 > 26 > 185 > 131.43788422901866 > 0 > 16 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,2R,5S,7R,10R,11R,14S,15R)-5-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > -0.30 > -1.3831406843333325 > -3.22 > 1 > 9 > 0 > 12.086181695088422 > 11.676717910012643 > -3.6786201995882717 > 415.9800000000001 > 291.74739999999997 > 18 > 0 > 7.44e-01 g/l > (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,2R,5S,7R,10R,11R,14S,15R)-5-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > 0 > NP0080959 > Yesanchinoside I $$$$