CDK 1030232201 48 50 0 0 0 0 0 0 0 0999 V2000 6.1592 -2.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5509 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 -2.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7827 2.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -1.5606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3702 3.1160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5737 2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 2.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4092 -0.7675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8074 3.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 3.1735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2173 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 -1.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2097 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0392 2.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 3.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -0.4372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3471 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2323 2.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 4.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5515 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 3.4880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 2.1219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3610 5.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 4.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7821 1.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 6.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 5.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 3.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6664 5.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 3 1 6 0 0 0 6 4 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 10 5 1 0 0 0 0 6 11 1 6 0 0 0 12 6 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 1 0 0 0 12 17 1 0 0 0 0 12 18 1 6 0 0 0 19 14 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 23 19 1 0 0 0 0 19 24 1 6 0 0 0 21 25 2 0 0 0 0 26 21 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 29 1 6 0 0 0 23 30 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 1 0 0 0 27 33 1 0 0 0 0 28 34 2 0 0 0 0 29 35 1 0 0 0 0 30 36 2 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 2 0 0 0 0 35 40 2 0 0 0 0 35 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 43 46 2 0 0 0 0 45 47 1 0 0 0 0 45 48 2 0 0 0 0 30 31 1 0 0 0 0 34 39 1 0 0 0 0 46 48 1 0 0 0 0 M END > CHEBI:213689 > Neoantimycin D > 2 > 3-amino-N-[(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl]-2-hydroxybenzamide > C35H46N2O11 > 670.756 > 670.31016 > 0 > O=C1O[C@H](C(=O)O[C@H]([C@H](NC(=O)C2=C(O)C(N)=CC=C2)C(=O)O[C@H](C(O[C@@H]([C@@H](C1(C)C)O)CC3=CC=CC=C3)=O)C(C)C)C)[C@H](CC)C > InChI=1S/C35H46N2O11/c1-8-19(4)28-33(43)45-20(5)25(37-30(40)22-15-12-16-23(36)26(22)38)31(41)47-27(18(2)3)32(42)46-24(17-21-13-10-9-11-14-21)29(39)35(6,7)34(44)48-28/h9-16,18-20,24-25,27-29,38-39H,8,17,36H2,1-7H3,(H,37,40)/t19-,20-,24+,25-,27-,28-,29-/m0/s1 > DRUZJKUYZFFVDZ-HKKCCTOYSA-N $$$$