Mol:FL5FACGL0071
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 65 71 0 0 0 0 0 0 0 0999 V2000 -3.0909 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 -0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 -0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 0.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 -1.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 2.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 0.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 2.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2743 -0.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 -1.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 2.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -3.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0128 -2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 -1.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 -2.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6347 -4.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 -3.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 -1.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 -2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9712 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 -2.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 -3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 -3.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 -3.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 -3.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 -4.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 -0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5706 -1.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 -0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4452 -0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7956 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8471 -0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7956 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5466 -0.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2462 1.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 2.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2462 3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 2.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8898 4.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5343 3.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2927 1.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8463 -2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5935 3.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5466 2.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -2.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1326 -3.5286 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 16 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 20 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 36 39 1 0 0 0 0 33 31 1 0 0 0 0 40 41 1 0 0 0 0 41 32 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 45 1 0 0 0 0 48 51 1 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 1 0 0 0 57 52 1 1 0 0 0 56 58 1 0 0 0 0 55 59 1 0 0 0 0 54 60 1 0 0 0 0 18 53 1 0 0 0 0 47 61 1 0 0 0 0 62 63 1 0 0 0 0 57 62 1 0 0 0 0 64 65 1 0 0 0 0 28 64 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 62 63 M SBL 1 1 69 M SMT 1 ^ CH2OH M SBV 1 69 0.5786 -0.4853 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 64 65 M SBL 2 1 71 M SMT 2 ^ CH2OH M SBV 2 71 0.6144 0.2134 S SKP 5 ID FL5FACGL0071 FORMULA C41H44O24 EXACTMASS 920.222252336 AVERAGEMASS 920.77366 SMILES C(OC(C(OC(O7)C(C(C(C7)O)O)OC(C=Cc(c6)cc(O)c(O)c6)=O)5)OC(CO)C(C(O)5)O)(C(=O)2)=C(Oc(c3)c2c(cc(OC(C(O)4)OC(CO)C(O)C4O)3)O)c(c1)ccc(O)c1O M END