Mrv1652304282208492D 63 69 0 0 1 0 999 V2000 -4.6412 -0.4358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3863 -1.2204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9383 -1.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7453 -1.6619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0002 -0.8773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4482 -0.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7933 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6322 -0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2973 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5793 -1.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0892 0.1773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2687 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9332 0.8448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5463 1.3968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2607 0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 2.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 2.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6201 3.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8664 3.7089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1990 3.2240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2852 2.4035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0389 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 3.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2221 3.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 4.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 1.0163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3725 1.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 0.7388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2330 0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9195 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5070 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6820 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7445 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9195 -2.4454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5070 -3.1599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6820 -3.1599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2695 -2.4454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6820 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5411 -2.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1585 -2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 -1.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5411 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 -3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 1.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3811 1.8009 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 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 1 0 0 0 5 8 1 6 0 0 0 4 9 1 6 0 0 0 2 10 1 6 0 0 0 1 11 1 1 0 0 0 11 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 11 15 1 0 0 0 0 14 16 1 1 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 21 23 1 1 0 0 0 23 24 1 0 0 0 0 20 25 1 6 0 0 0 25 26 1 0 0 0 0 19 27 1 1 0 0 0 13 28 1 6 0 0 0 28 29 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 28 32 1 0 0 0 0 30 33 1 1 0 0 0 33 34 1 6 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 33 37 1 0 0 0 0 35 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 35 42 1 0 0 0 0 41 43 1 6 0 0 0 43 44 1 1 0 0 0 45 43 1 1 0 0 0 45 46 1 0 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 45 50 1 0 0 0 0 49 51 1 6 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 49 55 1 1 0 0 0 48 56 1 1 0 0 0 47 57 1 1 0 0 0 46 58 1 1 0 0 0 58 59 1 0 0 0 0 40 60 1 1 0 0 0 39 61 1 6 0 0 0 33 62 1 1 0 0 0 28 63 1 1 0 0 0 M END > NP0062170 > NP-MRD > CO[C@H]1C[C@H](O[C@@H]2C[C@@H](O[C@H]2[C@@]2(C)CC[C@@H](O2)[C@@]2(C)CC[C@@]3(C[C@H](O)[C@@H](C)[C@@H](O3)[C@@H](C)[C@@H]3O[C@@](O)(CC(O)=O)[C@H](C)[C@H](O)[C@@H]3OC)O2)[C@@H]2O[C@@](C)(O)[C@@H](C)C[C@H]2C)O[C@@H](C)[C@@H]1OC > InChI=1S/C46H78O17/c1-22-17-23(2)44(9,51)60-36(22)30-18-31(57-34-19-29(53-10)39(54-11)27(6)56-34)41(58-30)43(8)14-13-32(59-43)42(7)15-16-45(63-42)20-28(47)24(3)37(61-45)25(4)38-40(55-12)35(50)26(5)46(52,62-38)21-33(48)49/h22-32,34-41,47,50-52H,13-21H2,1-12H3,(H,48,49)/t22-,23+,24-,25-,26-,27+,28+,29+,30-,31-,32-,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+/m1/s1 > YLJZFEIUUCJGFL-YFDOBUSLSA-N > C46H78O17 > 903.113 > 902.523901052 > 17 > 141 > 97.01197720149209 > 0 > 5 > 0 > 0 > 2-[(2S,3R,4S,5S,6S)-6-[(1R)-1-[(2R,5S,7R,8R,9S)-2-[(2R,2'R,3'R,5R,5'R)-3'-{[(2S,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2R,3R,5S,6R)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-2-methyl-[2,2'-bioxolane]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-2,4-dihydroxy-5-methoxy-3-methyloxan-2-yl]acetic acid > 1.98 > 4.130380948999997 > -4.38 > 1 > 7 > -1 > 11.598668741842028 > 3.953724340801733 > -2.9289581892283323 > 219.74999999999997 > 222.53050000000007 > 12 > 0 > 3.77e-02 g/l > [(2S,3R,4S,5S,6S)-6-[(1R)-1-[(2R,5S,7R,8R,9S)-2-[(2R,2'R,3'R,5R,5'R)-3'-{[(2S,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2R,3R,5S,6R)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-2-methyl-[2,2'-bioxolane]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-2,4-dihydroxy-5-methoxy-3-methyloxan-2-yl]acetic acid > 0 > NP0062170 > Antibiotic X 14868C $$$$