CDK 1028232201 46 49 0 0 0 0 0 0 0 0999 V2000 3.4489 2.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0108 2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 2.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3464 3.7480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8548 2.1544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2197 3.8372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8625 4.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 1.4870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0343 2.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4863 3.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 4.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 4.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.5762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0030 0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6987 1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4391 3.2942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5254 4.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5816 0.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 2.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9572 2.5856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3144 1.1596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4510 1.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6216 1.8319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7775 2.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0325 0.3577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1065 1.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8249 1.7391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7710 0.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 0.9915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3162 2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2559 -0.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7339 0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 3.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3027 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.8875 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 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 4 7 1 6 0 0 0 8 5 1 0 0 0 0 5 9 1 6 0 0 0 6 10 1 1 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 13 8 1 0 0 0 0 8 14 1 1 0 0 0 9 15 1 0 0 0 0 16 10 1 1 0 0 0 11 17 1 0 0 0 0 13 18 1 6 0 0 0 13 19 1 0 0 0 0 15 20 1 0 0 0 0 21 16 1 0 0 0 0 22 18 1 6 0 0 0 19 23 1 0 0 0 0 24 21 1 0 0 0 0 21 25 1 1 0 0 0 26 22 1 0 0 0 0 24 27 1 1 0 0 0 28 24 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 1 0 0 0 31 28 1 0 0 0 0 28 32 1 1 0 0 0 29 33 2 0 0 0 0 31 34 1 1 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 37 34 1 0 0 0 0 35 38 1 0 0 0 0 37 39 1 1 0 0 0 40 39 1 0 0 0 0 40 41 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 45 46 1 0 0 0 0 16 17 1 0 0 0 0 22 23 1 0 0 0 0 27 29 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:198952 > Pamamycin-649B > 2 > (1R,2R,5S,6R,7S,10R,11S,14R,15R,16S)-14-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]propyl]-2-ethyl-6,11,15-trimethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione > C38H67NO7 > 649.954 > 649.49175 > 0 > O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@@H](C(=O)O[C@H]([C@@H]([C@H]3O[C@@H]([C@H]1CC)CC3)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)CC)C)CC2)C)CCC > InChI=1S/C38H67NO7/c1-10-14-26(39(8)9)22-27-16-17-34(42-27)28(12-3)36-24(6)32-20-21-35(44-32)29(13-4)38(41)45-30(15-11-2)23(5)31-18-19-33(43-31)25(7)37(40)46-36/h23-36H,10-22H2,1-9H3/t23-,24+,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+/m0/s1 > MFMJBJLUIRYLLE-CTVFDYKESA-N $$$$