Mol:EEL0020
Copyright: ARM project http://www.metabolome.jp/
53 52 0 0 0 0 0 0 0 0999 V2000 -9.3208 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2432 -0.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2512 -1.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1551 -0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1006 -0.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 -0.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3355 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1489 -0.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 0.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4239 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1381 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8525 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5669 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2813 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3148 -0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0339 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4626 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6058 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3201 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0345 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1775 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8921 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6063 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1381 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0339 -1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 -1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6063 -1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7101 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 -0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8661 -0.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 4 2 1 0 1 2 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 11 1 0 7 10 1 0 12 9 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 25 24 1 0 26 25 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 40 39 1 0 41 40 1 0 10 27 1 0 14 42 1 0 18 43 1 0 22 44 1 0 26 45 1 0 29 46 1 0 33 47 1 0 37 48 1 0 41 49 1 0 26 50 1 0 41 51 1 0 5 52 1 0 4 5 1 0 6 53 1 0 5 53 1 0
A 5 Gal A 52 Glc S SKP 6 ID EEL0020 FORMULA C47H94O5 EXACTMASS 738.7101261180001 AVERAGEMASS 739.2462599999999 SMILES C(CCCC(CCCC(CCCC(C)CCOCC(COC(C)OC(C)=O)(OCCC(C)CCCC(CCCC(CCCC(C)C)C)C)[H])C)C)(C)C AUTODRAW FALSE M END
