Mrv1652304292205242D 101111 0 0 1 0 999 V2000 -0.5810 -0.3675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3211 -1.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3812 -0.7588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4449 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3686 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 0.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0472 -0.7999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7495 -1.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7257 -2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9997 -2.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 -3.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 -3.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 -2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7969 0.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 -0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 -0.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2253 0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9276 -0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 1.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8681 -0.3396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3493 -1.0846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0035 -1.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 -1.9183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2303 -2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1836 -1.0882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5982 -0.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1938 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4232 -0.3774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8336 -1.0931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4190 -1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 -1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0732 -0.3824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6629 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 0.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -0.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3129 0.3284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9025 1.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3171 1.7573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1421 1.7549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5525 1.0392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1379 0.3259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5482 -0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3732 -0.3922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7878 0.3210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6128 0.3185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0232 -0.3972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6086 -1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7836 -1.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0189 -1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6043 -2.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6164 -0.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3675 0.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8765 1.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3775 1.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7921 1.7499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3818 2.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7964 3.1789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6214 3.1764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2940 2.2289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3853 1.4852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7957 0.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1147 0.7975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2593 1.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5297 1.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0318 2.4607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0885 2.7205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2671 1.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3116 2.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8017 1.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0275 1.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8525 1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2628 0.3136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8482 -0.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0836 -1.1178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4982 -0.4046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0878 0.3111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5025 1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3232 -0.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8568 2.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 3.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 3.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8007 4.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5568 2.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 2.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3214 3.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0818 2.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 -1.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 -1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 -1.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 0.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -0.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 6 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 3 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 2 27 1 0 0 0 0 27 28 1 1 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 31 32 1 0 0 0 0 24 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 6 0 0 0 35 36 1 0 0 0 0 29 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 40 1 0 0 0 0 38 41 1 6 0 0 0 42 41 1 6 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 42 47 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 49 54 1 0 0 0 0 53 55 1 1 0 0 0 55 56 1 0 0 0 0 52 57 1 1 0 0 0 51 58 1 1 0 0 0 50 59 1 6 0 0 0 46 60 1 6 0 0 0 61 60 1 6 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 61 66 1 0 0 0 0 66 67 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 68 73 1 0 0 0 0 72 74 1 6 0 0 0 71 75 1 1 0 0 0 70 76 1 6 0 0 0 69 77 1 6 0 0 0 78 77 1 1 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 78 83 1 0 0 0 0 83 84 1 6 0 0 0 82 85 1 1 0 0 0 81 86 1 6 0 0 0 65 87 1 6 0 0 0 64 88 1 6 0 0 0 63 89 1 6 0 0 0 89 90 1 0 0 0 0 45 91 1 1 0 0 0 44 92 1 6 0 0 0 92 93 2 0 0 0 0 92 94 1 0 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 33 97 1 6 0 0 0 29 98 1 6 0 0 0 25 99 1 1 0 0 0 24100 1 6 0 0 0 1100 1 0 0 0 0 1101 1 1 0 0 0 M END > NP0082363 > NP-MRD > C\C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C/C)C(C)(C)C[C@H]2[C@@]34CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(O)=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@@H](O)[C@]12[C@@H](O)O4 > InChI=1S/C69H108O32/c1-13-26(3)55(86)99-52-53(100-56(87)27(4)14-2)69-34(21-63(52,6)7)68(101-62(69)88)20-16-33-65(10)18-17-36(64(8,9)32(65)15-19-66(33,11)67(68,12)22-35(69)73)93-61-51(98-58-45(82)41(78)39(76)30(23-70)91-58)47(46(83)48(95-61)54(84)85)94-60-50(43(80)40(77)31(24-71)92-60)97-59-49(42(79)37(74)28(5)90-59)96-57-44(81)38(75)29(72)25-89-57/h13-14,28-53,57-62,70-83,88H,15-25H2,1-12H3,(H,84,85)/b26-13-,27-14-/t28-,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-,57-,58-,59-,60-,61+,62-,65-,66+,67-,68-,69-/m0/s1 > GMWFLRBBLJCJDG-ZJUMRMRQSA-N > C69H108O32 > 1449.591 > 1448.682371318 > 30 > 209 > 142.08063352225614 > 0 > 16 > 0 > 0 > (2S,3S,4S,5R,6R)-6-{[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,21R,22R,23S)-2,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-21,22-bis({[(2Z)-2-methylbut-2-enoyl]oxy})-24-oxahexacyclo[15.5.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosan-10-yl]oxy}-4-{[(2S,3R,4S,5R,6R)-3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 1.12 > 0.4326801613333374 > -3.03 > 1 > 11 > -1 > 11.548093053995554 > 3.2815548387565916 > -3.6833970432290872 > 494.88000000000017 > 338.1286999999998 > 19 > 0 > 1.37e+00 g/l > (2S,3S,4S,5R,6R)-6-{[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,21R,22R,23S)-2,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-21,22-bis({[(2Z)-2-methylbut-2-enoyl]oxy})-24-oxahexacyclo[15.5.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosan-10-yl]oxy}-4-{[(2S,3R,4S,5R,6R)-3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0 > NP0082363 > (-)-Maejaposide C $$$$