CDK 1030232201 33 32 0 0 0 0 0 0 0 0999 V2000 12.1462 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5752 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5752 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2898 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2898 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0028 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0028 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5739 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:210666 > Woodybactin C > 2 > 2-[2-[[(1S)-1-carboxy-5-[hydroxy(nonanoyl)amino]pentyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid > C21H36N2O10 > 476.523 > 476.23700 > 0 > O=C(O)C(O)(CC(=O)O)CC(=O)N[C@H](C(=O)O)CCCCN(O)C(=O)CCCCCCCC > InChI=1S/C21H36N2O10/c1-2-3-4-5-6-7-11-17(25)23(33)12-9-8-10-15(19(28)29)22-16(24)13-21(32,20(30)31)14-18(26)27/h15,32-33H,2-14H2,1H3,(H,22,24)(H,26,27)(H,28,29)(H,30,31)/t15-,21?/m0/s1 > SKYVMRWYWWVZMN-ZDGMYTEDSA-N $$$$