Mol:EEL3011
Copyright: ARM project http://www.metabolome.jp/
61 60 0 0 0 0 0 0 0 0999 V2000 -3.3498 -1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6427 -2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8522 -2.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5936 1.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0306 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3554 3.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 3.8297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8761 1.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 2.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7327 3.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0182 3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5897 3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8753 3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1255 3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9791 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 2.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 2.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 2.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 2.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9829 3.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5936 1.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8669 -2.8445 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.8669 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8669 -3.8297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 -2.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 -1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8597 -1.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6194 -1.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 -1.1031 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 -0.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -1.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 9 1 0 5 8 1 0 10 7 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 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 26 25 1 0 27 26 1 0 28 27 1 0 29 28 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 8 25 1 0 12 40 1 0 16 41 1 0 20 42 1 0 24 43 1 0 27 44 1 0 31 45 1 0 35 46 1 0 39 47 1 0 24 48 1 0 39 49 1 0 3 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 2 53 1 0 2 54 1 0 54 55 1 0 1 54 1 0 54 56 1 0 55 57 1 0 59 58 2 0 60 58 2 0 61 58 1 0 57 58 1 0
S SKP 6 AUTODRAW FALSE ID EEL3011 FORMULA C46H95O11PS EXACTMASS 886.6332710820001 AVERAGEMASS 887.279661 SMILES C(CCCC(CCCC(CCCC(C)CCOCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)([H])COP(OCC(COS(O)(=O)=O)([H])O)(O)=O)C)C)(C)C M END
