Marvin 11301116302D 47 49 0 0 1 0 999 V2000 9.6372 -7.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9227 -5.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9227 -7.5329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2082 -6.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 -7.1204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0662 -6.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0662 -7.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3516 -7.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6370 -4.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9227 -5.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0662 -3.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0662 -4.6454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3516 -3.4079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6372 -3.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7806 -5.0579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7806 -5.8829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3516 -8.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9227 -3.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4951 -4.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3516 -2.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9227 -8.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 -8.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4937 -7.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4951 -6.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3441 -5.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 -7.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0648 -7.5329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0648 -8.3579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3503 -7.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3503 -8.7704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6359 -7.5329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6359 -8.3579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7793 -8.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3503 -9.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 -8.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 -7.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9241 -6.2954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6385 -5.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2097 -5.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6385 -5.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2097 -5.0581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9241 -4.6456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9241 -7.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3531 -4.6456 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.9241 -3.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0675 -5.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3510 -3.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 5 4 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 1 8 1 0 0 0 0 10 9 2 0 0 0 0 2 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 9 14 1 0 0 0 0 16 15 1 0 0 0 0 12 15 1 0 0 0 0 6 16 1 0 0 0 0 8 17 2 0 0 0 0 14 18 2 0 0 0 0 15 19 1 6 0 0 0 13 20 1 6 0 0 0 3 21 1 6 0 0 0 21 22 1 0 0 0 0 5 23 1 1 0 0 0 16 24 1 1 0 0 0 12 25 1 1 0 0 0 23 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 27 26 1 1 0 0 0 28 33 1 6 0 0 0 30 34 1 6 0 0 0 32 35 1 6 0 0 0 31 36 1 1 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 42 1 0 0 0 0 37 43 1 1 0 0 0 40 44 1 1 0 0 0 42 45 1 6 0 0 0 41 19 1 1 0 0 0 44 46 1 0 0 0 0 47 44 1 0 0 0 0 M CHG 1 44 1 M END > CHEBI:63311 > mycinamicin VI(1+) > A mycinamicin cation that is the conjugate acid of mycinamicin VI, obtained by protnation of the tertiary amino group. > 3 > mycinamicin VI cation; mycinamicin VI > [(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-beta-D-allopyranoside > C35H58NO11 > 668.83510 > 668.40044 > 1 > CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O > InChI=1S/C35H57NO11/c1-9-27-24(18-43-34-32(42)31(41)29(39)23(6)45-34)12-10-11-13-26(37)20(3)16-21(4)33(19(2)14-15-28(38)46-27)47-35-30(40)25(36(7)8)17-22(5)44-35/h10-15,19-25,27,29-35,39-42H,9,16-18H2,1-8H3/p+1/b12-10+,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,27+,29+,30+,31+,32+,33+,34+,35-/m0/s1 > ORPUAOXOPLNKNG-GEUQSOIWSA-O $$$$