Marvin 02280715082D 31 33 0 0 0 0 999 V2000 -4.3395 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.1688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1364 -0.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3395 -0.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9228 -1.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 -0.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3523 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9816 -0.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2941 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 0.0688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9816 0.0688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9261 0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 -0.7563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1618 -1.1688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 0.4813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2671 1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 0.0688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3450 0.0688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4118 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -0.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0595 -1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0595 -1.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -2.4063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0595 0.4813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0595 1.3063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.9938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3395 -2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 12 1 0 0 0 0 1 5 1 0 0 0 0 5 3 1 0 0 0 0 3 7 1 0 0 0 0 7 12 1 0 0 0 0 3 30 1 1 0 0 0 5 4 1 1 0 0 0 5 6 1 6 0 0 0 7 8 1 6 0 0 0 17 13 1 0 0 0 0 13 10 1 0 0 0 0 17 21 1 0 0 0 0 10 9 1 0 0 0 0 9 15 1 0 0 0 0 15 21 1 0 0 0 0 10 11 1 1 0 0 0 12 14 1 6 0 0 0 13 14 1 6 0 0 0 15 16 1 1 0 0 0 17 18 1 1 0 0 0 28 22 1 0 0 0 0 22 24 1 0 0 0 0 28 20 1 0 0 0 0 24 25 1 0 0 0 0 25 19 2 0 0 0 0 19 20 1 0 0 0 0 21 23 1 6 0 0 0 22 23 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 6 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:9169 > sisomycin > 3 > Sissomicin; Sisomicin; Rickamicin; O-2,6-Diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine; Dehydrogentamicin Cla; Antibiotic 6640 > (1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yloxy]-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside > C19H37N5O7 > 447.52658 > 447.26930 > 0 > CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@@H]1O > InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 > URWAJWIAIPFPJE-YFMIWBNJSA-N > 32385-11-8 > 32385-11-8 > C00494 > D02544 $$$$