Mol:EEL3014
Copyright: ARM project http://www.metabolome.jp/
56 55 0 0 0 0 0 0 0 0999 V2000 -8.6921 1.0390 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.6374 1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7285 1.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6967 1.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6681 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5998 -0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1124 -0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6299 -0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0188 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4078 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7485 1.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 -0.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 0.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9744 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8829 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7405 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1692 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8835 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5979 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3123 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9981 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2078 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6367 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0655 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7797 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4941 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2086 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3123 0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 -1.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2078 -1.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0655 -1.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 -1.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0268 1.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6374 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5998 -1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6723 0.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7123 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 3 1 2 0 4 1 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 13 1 0 9 12 1 0 14 11 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 43 42 1 0 12 29 1 0 16 44 1 0 20 45 1 0 24 46 1 0 28 47 1 0 31 48 1 0 35 49 1 0 39 50 1 0 43 51 1 0 28 52 1 0 43 53 1 0 6 7 1 0 5 6 1 0 6 54 1 0 56 8 1 0 7 56 1 0 1 55 1 0 5 55 1 0
A 5 Gal A 6 Man A 7 Glc A 54 Gal S SKP 6 AUTODRAW FALSE ID EEL3014 FORMULA C47H96O7S EXACTMASS 804.6876761159999 AVERAGEMASS 805.32694 SMILES C(CCCC(CCCC(C)CCCC(C)CCOCC(COCC(COS(O)(=O)=O)C)(OCCC(C)CCCC(CCCC(CCCC(C)C)C)C)[H])C)(C)C M END
