Mol:EEL2073
Copyright: ARM project http://www.metabolome.jp/
28 27 0 0 0 0 0 0 0 0999 V2000 -1.5064 -2.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0236 -1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 -0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6819 0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9073 -1.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 -0.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4367 1.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 0.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -2.6768 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -1.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -2.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -3.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 1.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1192 2.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7311 2.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1657 3.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 4.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0028 2.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 3.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -3.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 -2.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -3.0893 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5774 -1.1676 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -4.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 0.8041 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 6 8 1 0 5 9 1 0 9 10 1 0 8 11 2 0 1 12 1 0 12 13 2 0 12 14 1 0 12 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 22 1 0 18 21 1 0 9 16 1 0 14 23 1 0 23 24 1 0 24 25 1 0 8 26 1 0 15 27 1 0 9 28 1 0
M CHG 1 25 1 S SKP 6 AUTODRAW FALSE ID EEL2073 FORMULA C11H23NO10PR1R2 EXACTMASS 452.08925747099994 AVERAGEMASS 452.258121 SMILES [NH3+1]CCOP(=O)(OC)OCC([H])(COC([H])([R1])OCC([H])(O)CO)OC(=O)[R2] M END
