Mrv1652309062209312D 64 70 0 0 1 0 999 V2000 -1.0265 -4.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 -3.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8664 -2.8839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6201 -2.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 -1.7278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4600 -1.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5463 -0.5718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2607 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0892 0.6477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6412 1.2608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4482 1.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0002 1.7023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5082 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7287 2.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7453 2.4869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2973 3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9383 2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3863 2.0454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5793 2.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2687 0.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9332 -0.0198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1262 -0.1913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3811 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 0.0862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1715 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 C 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 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 2 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 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 2.5070 -0.3020 0.0000 C 0 0 1 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 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 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 4.9820 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8388 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -0.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9006 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6758 1.0748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 1.3230 0.0000 O 0 0 0 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 6.2195 -1.0164 0.0000 C 0 0 0 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 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -3.1599 0.0000 C 0 0 0 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 3.7445 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 -2.4454 0.0000 C 0 0 0 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 0.7846 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3725 -0.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 -1.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -1.5785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6178 -1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -2.3990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4453 -2.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3591 -3.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 6 0 0 0 12 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 6 0 0 0 9 20 1 0 0 0 0 20 21 1 0 0 0 0 7 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 6 0 0 0 40 38 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 1 0 0 0 42 44 1 6 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 42 48 1 0 0 0 0 48 49 1 1 0 0 0 48 50 1 0 0 0 0 50 51 1 6 0 0 0 51 52 1 0 0 0 0 50 53 1 0 0 0 0 40 53 1 0 0 0 0 53 54 1 1 0 0 0 54 55 1 0 0 0 0 37 56 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 6 0 0 0 27 57 1 6 0 0 0 26 58 1 0 0 0 0 22 58 1 6 0 0 0 5 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 1 0 0 0 60 62 1 0 0 0 0 3 62 1 0 0 0 0 62 63 1 6 0 0 0 63 64 1 0 0 0 0 M END > NP0228010 > 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-VQLSFVLHSA-N > C47H80O17 > 917.14 > 916.539551116 > 17 > 144 > 98.13588685444446 > 0 > 4 > 0 > 0 > 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-{[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2S,3S,5R,6S)-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 > 4.773507452666665 > 1 > 7 > -1 > 11.601708936684355 > 4.007434245318878 > -2.9289581892304097 > 208.74999999999994 > 227.28170000000006 > 13 > 0 > maduramicin > 0 > NP0228010 > maduramicin $$$$