Mol:FL5FACGL0046
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -1.1597 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1597 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 -1.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4122 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1404 -0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8686 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8686 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1404 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4122 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 -1.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5062 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1404 2.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6245 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -1.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7285 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1149 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 -1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9496 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 -0.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 0.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6109 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4403 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 -0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3316 -0.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8028 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6473 -0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1615 -2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6489 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0479 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6916 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -2.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 -2.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7962 1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7528 -1.7079 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 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 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 16 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 20 1 0 0 0 0 1 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 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 43 48 1 0 0 0 0 44 49 1 0 0 0 0 41 42 1 0 0 0 0 45 40 1 0 0 0 0 35 31 1 0 0 0 0 50 51 1 0 0 0 0 25 50 1 0 0 0 0 52 53 1 0 0 0 0 37 52 1 0 0 0 0 54 55 1 0 0 0 0 47 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 56 M SMT 1 CH2OH M SBV 1 56 -0.6356 -0.0987 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 52 53 M SBL 2 1 58 M SMT 2 ^ CH2OH M SBV 2 58 0.5842 -0.5790 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 54 55 M SBL 3 1 60 M SMT 3 ^ CH2OH M SBV 3 60 0.7669 -0.2396 S SKP 5 ID FL5FACGL0046 FORMULA C33H40O22 EXACTMASS 788.201122964 AVERAGEMASS 788.6575 SMILES OCC(C(O)1)OC(OC(C(O)6)C(OC(CO)C(O)6)Oc(c2)cc(O)c(C3=O)c2OC(c(c5)ccc(c5O)O)=C(OC(O4)C(O)C(C(O)C4CO)O)3)C(O)C(O)1 M END