Marvin 07031213312D 38 40 0 0 1 0 999 V2000 8.4739 -6.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1752 -5.9014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9177 -6.3552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6189 -5.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6189 -5.1177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9177 -4.7052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1752 -5.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9177 -7.1802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4739 -4.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3614 -4.7052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 -3.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6189 -3.4677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3202 -3.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0214 -3.4677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0214 -2.6427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3202 -2.2302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6189 -2.6427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7639 -3.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8764 -2.2302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3202 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7227 -2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7639 -4.7052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5765 -5.7364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4014 -5.7364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6489 -4.9527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9889 -4.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 -4.9527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5452 -4.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 -5.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 -6.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8964 -6.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6378 -7.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3525 -7.1846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0671 -7.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7818 -7.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4965 -7.5973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6372 -8.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3525 -6.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 1 0 0 0 7 9 1 1 0 0 0 5 10 1 1 0 0 0 6 11 1 6 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 1 0 0 0 17 19 1 6 0 0 0 16 20 1 1 0 0 0 15 21 1 6 0 0 0 18 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 1 0 0 0 24 31 1 6 0 0 0 25 9 1 1 0 0 0 8 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 32 37 2 0 0 0 0 33 38 1 1 0 0 0 M END > CHEBI:65112 > butirosin A > A butirosin that consists of neamine in which is substituted at position 2 by a β-D-xylofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobutyryl group. > 3 > Butyrosin A; Ambutyrosin A > (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide > C21H41N5O12 > 555.57650 > 555.27517 > 0 > NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O > InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1 > XEQLFNPSYWZPOW-SVRMBHBBSA-N > 34291-02-6 > 1696155 > 34291-02-6 > C17585 > B31 $$$$