Mol:FL5FACGL0038
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -0.9960 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2816 0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2816 1.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 1.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 -0.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 1.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 1.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 2.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2816 -0.7498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7102 1.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 2.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -1.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 -1.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 -2.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -0.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2552 -2.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7024 -3.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2599 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5219 -0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3614 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 0.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -1.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 -2.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 3.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7364 1.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 1.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8689 1.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4695 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7644 1.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4738 1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4697 0.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -3.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -3.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0712 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2987 2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 21 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 28 1 0 0 0 0 16 41 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 19 1 0 0 0 0 51 52 1 0 0 0 0 25 51 1 0 0 0 0 53 54 1 0 0 0 0 47 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 ^ CH2OH M SBV 1 57 0.0207 0.7295 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 53 54 M SBL 2 1 59 M SMT 2 ^ CH2OH M SBV 2 59 0.6016 -0.5020 S SKP 5 ID FL5FACGL0038 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES OC(C6O)C(C(OC(CO)6)OC(C(=O)4)=C(c(c5)cc(c(c5)O)O)Oc(c42)cc(OC(C(O)3)OC(CO)C(O)C3O)cc2O)OC(C(O)1)OC(C(O)C1O)C M END
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