Mol:EEL0244
Copyright: ARM project http://www.metabolome.jp/
97100 0 0 0 0 0 0 0 0999 V2000 -11.5486 2.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4087 2.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7744 3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0601 2.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3457 3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6312 2.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9635 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2491 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5015 -2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0601 1.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9635 0.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 0.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 1.7902 -2.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 -1.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3864 0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7521 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0376 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3233 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6087 0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8945 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 1.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 1.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6487 -1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7908 -1.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0374 1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 2.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 2.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 1.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6336 1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6336 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3474 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0626 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0626 1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1148 1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1148 2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 3.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8296 3.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9225 -0.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3964 -0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2097 -0.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3755 -0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7412 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0268 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3124 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5979 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8837 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0268 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4678 -2.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6530 -2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0828 -1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0828 -0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6537 -0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6537 -1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7533 1.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7700 0.5512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9225 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5909 -2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6221 1.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4226 -2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 4 17 1 0 7 18 1 0 11 19 1 0 12 20 1 0 16 21 1 0 11 22 1 0 16 23 1 0 24 25 1 0 25 26 1 0 24 28 1 0 24 27 1 0 29 26 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 45 44 1 0 46 45 1 0 47 46 1 0 48 47 1 0 49 48 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 27 44 1 0 31 55 1 0 35 56 1 0 39 57 1 0 43 58 1 0 46 59 1 0 50 60 1 0 54 61 1 0 43 62 1 0 54 63 1 0 22 63 1 0 23 62 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 64 68 1 0 50 64 1 0 49 67 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 69 73 1 0 7 73 1 0 70 74 1 0 6 74 1 0 75 76 1 0 76 77 1 0 79 78 1 0 80 79 1 0 81 80 1 0 82 81 1 0 83 82 1 0 77 78 1 0 80 84 1 0 75 85 1 0 85 86 1 0 87 88 1 0 88 89 1 0 89 90 1 0 90 91 1 0 87 91 1 0 83 88 1 0 12 91 1 0 76 92 1 0 76 93 1 0 1 92 1 0 24 94 1 0 86 95 1 0 94 96 1 0 95 97 1 0
A 86 Gul A 95 Man A 97 Man S SKP 6 AUTODRAW FALSE ID EEL0244 FORMULA C89H172O6 EXACTMASS 1337.315393236 AVERAGEMASS 1338.3143799999998 SMILES C(C4)(C)CCCC(CCCC(CCOCC(OCCC(C)CCCC(C1)CCC(C(CCCC(C)CCC(CCCC(C)C(C2)CCC(CCCC(CCOCC(OCCC(C)CCCC(C3)CCC3C(CCCC(CCC(CC4)C)C)C)([H])COCCC)C)2)C)C)1)(CO)[H])C)C M END
