Ketcher 06121716562D 1 1.00000 0.00000 0 41 42 0 1 0 999 V2000 13.4613 -4.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4522 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5866 -4.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 -2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3089 -2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5912 -5.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7977 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 -1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7075 -6.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4522 -6.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7030 -1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4298 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8328 -5.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8465 -1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7030 -0.4112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9537 -6.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8239 -4.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8465 -2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0972 -5.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0836 -4.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 -6.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -4.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1153 -2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2225 -4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1705 -3.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2129 -7.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0912 -2.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3289 -4.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8935 -6.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8996 -5.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0379 -6.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0363 -4.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7552 -4.8868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1806 -6.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0333 -7.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1806 -5.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0402 -3.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6098 -5.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7564 -3.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7509 -6.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 6 0 0 3 6 1 0 0 0 3 7 1 6 0 0 4 8 1 0 0 0 6 9 1 0 0 0 6 10 1 6 0 0 8 11 1 0 0 0 8 12 1 6 0 0 9 13 1 0 0 0 11 14 1 0 0 0 11 15 2 0 0 0 13 16 1 0 0 0 13 17 2 0 0 0 14 18 2 0 0 0 16 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 19 22 1 6 0 0 20 23 2 0 0 0 20 24 1 0 0 0 21 25 1 1 0 0 21 23 1 0 0 0 5 26 1 0 0 0 22 27 1 0 0 0 26 28 2 0 0 0 1 29 1 6 0 0 32 35 1 0 0 0 32 36 1 1 0 0 33 37 1 0 0 0 33 38 1 6 0 0 35 37 1 0 0 0 34 39 1 0 0 0 30 31 1 0 0 0 34 40 1 0 0 0 30 32 1 0 0 0 30 41 1 6 0 0 31 33 1 0 0 0 31 34 1 1 0 0 37 29 1 1 0 0 M END > CHEBI:134191 > 20-oxo-5-O-beta-mycaminosyltylactone > A macrolide antibiotic that is 20-oxotylactone having a β-D-mycaminosyl residue attached at position 5. > 3 > Deepoxycirramycin A1; 23-Deoxy-5-O-mycaminosyltylonolide; 23-Deoxy-5-O-beta-mycaminosyltylonolide > (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside > C31H51NO9 > 581.739 > 581.35638 > 0 > [C@@H]1([C@H](C[C@H](C(C=CC(=C[C@@H]([C@H](OC(C[C@H]([C@@H]1C)O)=O)CC)C)C)=O)C)CC=O)O[C@H]2[C@H](O)[C@H]([C@@H]([C@H](O2)C)O)N(C)C > InChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1 > FERSDKADYZRIAA-CQGKBTLCSA-N > 50507-46-5 > 6457636 > 50507-46-5 > C20760 > CPD-15945 > 2817858 $$$$