Mrv1652309102218552D 85 90 0 0 1 0 999 V2000 2.8997 -8.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6923 -8.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0795 -8.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6739 -9.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -9.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0610 -9.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8537 -9.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4482 -10.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2408 -9.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8353 -10.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4389 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2316 -8.8462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8261 -9.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6279 -10.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2224 -10.7911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0150 -10.5623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2132 -9.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6095 -11.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4113 -11.9352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0058 -12.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7984 -12.2784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9966 -11.4775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4021 -10.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7892 -11.2487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9874 -10.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3837 -11.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1763 -11.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1855 -12.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3929 -12.8504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1948 -13.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4021 -13.8801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9966 -14.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7984 -15.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3929 -15.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1948 -16.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7892 -17.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 -14.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4113 -14.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2132 -15.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4205 -15.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8261 -15.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0334 -15.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4389 -15.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6371 -14.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4297 -13.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -13.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0334 -12.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4205 -12.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6187 -12.1640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0242 -11.5920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2316 -11.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6187 -9.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8169 -8.3886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6095 -8.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2224 -7.8165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4205 -7.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2132 -6.7869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8076 -7.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6003 -7.1301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1948 -7.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7984 -6.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5911 -6.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 -5.7572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4021 -4.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1948 -4.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7892 -5.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3929 -3.9267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7984 -3.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1855 -3.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3837 -2.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4113 -5.9860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8169 -5.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4297 -8.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8353 -7.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0334 -6.6725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8261 -6.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0242 -5.6428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5310 -4.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4297 -5.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6279 -4.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6371 -5.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0426 -4.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4389 -6.1004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6463 -6.3292 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 22 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 30 29 1 1 0 0 0 22 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 32 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 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 47 48 2 0 0 0 0 47 49 1 0 0 0 0 50 49 1 6 0 0 0 20 50 1 0 0 0 0 50 51 1 0 0 0 0 16 51 1 0 0 0 0 51 52 1 6 0 0 0 14 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 6 0 0 0 54 56 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 6 0 0 0 60 62 1 0 0 0 0 62 63 1 1 0 0 0 62 64 1 0 0 0 0 64 65 1 6 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68 69 1 1 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 64 72 1 0 0 0 0 58 72 1 0 0 0 0 72 73 1 6 0 0 0 56 74 1 0 0 0 0 13 74 1 0 0 0 0 74 75 1 6 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 6 0 0 0 78 80 1 0 0 0 0 80 81 1 1 0 0 0 80 82 1 0 0 0 0 82 83 1 6 0 0 0 82 84 1 0 0 0 0 76 84 1 0 0 0 0 84 85 1 6 0 0 0 M END > NP0302981 > NP-MRD > CCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]3[C@@H]2O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C61H106O24/c1-10-13-15-16-18-22-27-31-40(63)80-55-54(85-57-46(69)44(67)41(64)33(5)73-57)50(83-58-48(71)51(43(66)35(7)74-58)81-56(72)32(4)12-3)37(9)77-61(55)82-49-36(8)76-60-53(47(49)70)79-39(62)30-26-23-20-17-19-21-25-29-38(28-24-14-11-2)78-59-52(84-60)45(68)42(65)34(6)75-59/h32-38,41-55,57-61,64-71H,10-31H2,1-9H3/t32-,33-,34+,35-,36-,37-,38-,41-,42-,43-,44+,45-,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,57-,58-,59-,60-,61-/m0/s1 > FOEGAVYCKSBQPD-MRVDFAPOSA-N > C61H106O24 > 1223.495 > 1222.707404293 > 21 > 191 > 132.57211735828898 > 0 > 8 > 0 > 0 > (2S,3R,4R,5S,6S)-5-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0^{3,8}]hexacosan-6-yl]oxy}-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl decanoate > 8.297565093333334 > 1 > 6 > 0 > 12.289291263022621 > 11.846503020726388 > -3.6121826090014517 > 333.04 > 298.5482 > 24 > 0 > (2S,3R,4R,5S,6S)-5-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0^{3,8}]hexacosan-6-yl]oxy}-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl decanoate > 0 > NP0302981 > pescaprein xxx $$$$