Mrv0541 08291409592D 60 66 0 0 1 0 999 V2000 -0.7607 0.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 -0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4722 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 1.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 -0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0682 -0.4920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1913 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 2.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6509 -0.0870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3813 1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7494 2.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1989 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0757 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9065 1.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 1.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 3.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 2.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -0.9120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1080 2.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4003 3.6218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 3.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7892 -0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 4.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3370 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0561 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7816 -2.1496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3549 -2.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4969 -0.9196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1080 4.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6812 4.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0561 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3446 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7752 1.1884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4932 -1.7409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7702 -2.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2046 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 4.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 5.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4905 0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2008 -2.1496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 -3.3758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9124 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 -4.2008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3435 -2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3435 -4.6133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7665 -4.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -3.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -4.2008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3397 -5.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -4.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 1 0 0 0 9 17 1 0 0 0 0 11 18 1 6 0 0 0 12 19 2 0 0 0 0 13 20 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 2 0 0 0 0 24 18 1 6 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 2 0 0 0 0 21 28 1 0 0 0 0 21 29 2 0 0 0 0 22 30 1 0 0 0 0 24 31 1 0 0 0 0 24 32 1 0 0 0 0 33 26 1 6 0 0 0 28 34 1 0 0 0 0 30 35 2 0 0 0 0 31 36 1 0 0 0 0 31 37 1 1 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 2 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 36 45 1 6 0 0 0 38 46 1 6 0 0 0 39 47 1 0 0 0 0 39 48 2 0 0 0 0 43 49 1 0 0 0 0 44 50 1 6 0 0 0 51 45 1 1 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 6 0 0 0 54 57 1 0 0 0 0 55 58 1 0 0 0 0 55 59 1 1 0 0 0 58 60 1 6 0 0 0 8 11 1 0 0 0 0 9 15 2 0 0 0 0 13 19 1 0 0 0 0 22 28 2 0 0 0 0 35 41 1 0 0 0 0 38 44 1 0 0 0 0 57 58 1 0 0 0 0 M END > CHEBI:8349 > pradimicin A > A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). > 3 > (2R)-2-({[(5S,6S)-1,6,9,14-tetrahydroxy-5-{[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}amino)propanoic acid > C40H44N2O18 > 840.78000 > 840.25891 > 0 > CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)N[C@H](C)C(O)=O)c(C)cc23)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12-,13-,20-,26+,29+,30+,33-,34-,35+,36+,39+,40+/m1/s1 > WPICPWIIIBCXCV-NJGWPHBESA-N > 117704-65-1 > 4645458 > 117704-65-1 > C06784 > 17050611; 21598364; 2167304; 21942374; 2199421; 2211352; 2345961; 23832850 $$$$