Mrv1652304282208492D 64 70 0 0 1 0 999 V2000 2.9195 -1.0164 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 1.2695 0.4125 0.0000 C 0 0 2 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 1 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 0.7846 -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 -0.0000 0.8250 0.0000 C 0 0 1 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 -0.8195 0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3434 1.5751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1522 1.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 2.5577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4969 2.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 2.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 2.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 3.2634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4965 3.3324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6848 4.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 4.5630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3547 4.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 5.3851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5876 5.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 6.6781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7721 7.0293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0946 6.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 5.7364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4862 5.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 7.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3377 6.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 7.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0355 2.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8459 2.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3850 2.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1954 2.3926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4667 3.1717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9276 3.7962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1172 3.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1989 4.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6599 5.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2771 3.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5484 4.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1570 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9820 -1.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3945 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9820 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1570 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 1.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9245 1.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0108 0.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3945 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 -2.4454 0.0000 C 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 2 1 1 1 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 2 7 1 0 0 0 0 7 8 1 1 0 0 0 6 9 1 6 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 4 13 1 6 0 0 0 12 14 1 6 0 0 0 12 15 1 1 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 17 20 1 1 0 0 0 17 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 1 0 0 0 24 26 1 6 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 26 31 1 0 0 0 0 31 32 1 6 0 0 0 29 33 1 6 0 0 0 28 34 1 6 0 0 0 28 35 1 1 0 0 0 22 36 1 1 0 0 0 37 36 1 6 0 0 0 37 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 37 42 1 0 0 0 0 41 43 1 1 0 0 0 43 44 1 0 0 0 0 40 45 1 1 0 0 0 45 46 1 0 0 0 0 39 47 1 1 0 0 0 1 48 1 1 0 0 0 49 1 1 6 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 6 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 53 59 1 1 0 0 0 52 60 1 1 0 0 0 51 61 1 6 0 0 0 61 62 1 0 0 0 0 50 63 1 1 0 0 0 63 64 1 0 0 0 0 M END > NP0062168 > 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](OC)[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/C47H80O17/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)/t23-,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36-,37-,38-,39-,40+,41-,42+,43-,44-,45+,46+,47+/m0/s1 > RWVUEZAROXKXRT-NYOVPSPISA-N > C47H80O17 > 917.14 > 916.539551116 > 17 > 144 > 100.37094516773482 > 0 > 4 > 0 > 0 > 2-[(2R,3S,4S,5R,6S)-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-{[(2S,4S,5R,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2S,3S,5R,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-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid > 2.22 > 4.773507452666665 > -4.77 > 1 > 7 > -1 > 11.601708936684355 > 4.007434245318878 > -2.9289581892304097 > 208.74999999999997 > 227.28170000000006 > 13 > 0 > 1.57e-02 g/l > [(2R,3S,4S,5R,6S)-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-{[(2S,4S,5R,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2S,3S,5R,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-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid > 0 > NP0062168 > Antibiotic X 14868A $$$$