69 76 0 0 1 0 0 0 0 0999 V2000 23.0300 -11.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0300 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2200 -13.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4800 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4800 -11.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2200 -11.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6700 -13.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8600 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8600 -11.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6700 -11.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1200 -13.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3100 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3100 -11.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1200 -11.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5000 -13.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7600 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7600 -11.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5000 -11.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1200 -15.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8400 -13.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8400 -11.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2200 -15.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6700 -15.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5000 -15.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5000 -9.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6900 -8.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9500 -11.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9500 -13.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1400 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9500 -15.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3100 -10.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -26.6700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0500 -25.2700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2400 -24.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4300 -25.2700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.4300 -26.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2400 -27.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.6200 -24.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9300 -24.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9300 -27.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2200 -28.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2600 -28.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4300 -22.5400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4300 -21.2100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.6200 -20.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8100 -21.2100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8100 -22.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6200 -23.2400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.0000 -20.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2400 -20.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2400 -23.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8100 -18.4800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8100 -17.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.0000 -16.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1900 -17.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.1900 -18.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0000 -19.1100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.3100 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6200 -16.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6200 -19.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2000 -11.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2000 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3900 -13.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6500 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6500 -11.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3900 -11.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3900 -15.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0100 -11.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0100 -13.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 9 14 1 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 13 18 1 0 0 0 11 19 2 0 0 0 2 20 1 0 0 0 1 21 1 0 0 0 3 22 1 0 0 0 7 23 1 0 0 0 15 24 2 0 0 0 18 25 1 6 0 0 25 26 1 0 0 0 17 27 1 0 0 0 16 28 1 0 0 0 28 29 1 0 0 0 28 30 2 0 0 0 13 31 1 6 0 0 57 49 1 1 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 43 1 0 0 0 33 34 1 0 0 0 46 49 1 1 0 0 32 40 1 6 0 0 44 50 1 1 0 0 34 35 1 0 0 0 43 51 1 1 0 0 48 38 1 1 0 0 37 41 1 6 0 0 35 36 1 0 0 0 37 42 1 1 0 0 36 37 1 0 0 0 37 32 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 52 1 0 0 0 35 38 1 1 0 0 55 58 1 1 0 0 32 33 1 0 0 0 12 58 1 6 0 0 53 59 1 1 0 0 33 39 1 1 0 0 52 60 1 6 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 61 66 1 0 0 0 65 21 1 1 0 0 63 67 1 1 0 0 61 68 1 1 0 0 62 69 1 6 0 0 M END > CHEBI:81905 > 3A-Deolivosylpremithramycin B > 2 > C47H62O21 > 962.98260 > 962.37836 > 0 > CO[C@H]1[C@@H]2Cc3cc4cc(O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)c(C)c(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O > InChI=1S/C47H62O21/c1-16-26(65-29-12-25(49)37(51)18(3)61-29)11-23-9-22-10-24-42(60-8)41(55)33(17(2)48)44(57)47(24,45(58)35(22)40(54)34(23)36(16)50)68-31-14-28(39(53)20(5)63-31)66-30-13-27(38(52)19(4)62-30)67-32-15-46(7,59)43(56)21(6)64-32/h9,11,18-21,24-25,27-32,37-39,42-43,49-56,59H,10,12-15H2,1-8H3/t18-,19-,20-,21-,24+,25-,27-,28-,29+,30+,31+,32+,37-,38+,39-,42+,43-,46+,47-/m1/s1 > UAMBJRMXUKZHCK-PRUFDSPOSA-N > C18710 $$$$