Mol:FL5FAAGL0110
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -1.6773 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6773 -1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 -2.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 -1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 -2.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 -1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 -0.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 -3.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0806 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0806 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 -3.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3165 0.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9043 -2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8746 -0.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 -0.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0489 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1307 -0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4259 -0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 -1.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0883 -1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 -1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -2.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 -2.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 -2.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 -1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 -2.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -2.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0785 -1.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9029 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6546 2.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0034 2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0034 1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5017 1.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 3.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6433 3.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 1.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 3.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4259 2.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 -0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9263 0.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6429 -2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 -3.7532 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 1 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 21 1 0 0 0 0 31 32 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 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 32 20 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 40 46 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 19 1 0 0 0 0 49 50 1 0 0 0 0 45 49 1 0 0 0 0 51 52 1 0 0 0 0 27 51 1 0 0 0 0 53 54 1 0 0 0 0 34 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 49 50 M SBL 1 1 55 M SMT 1 CH2OH M SBV 1 55 -0.3554 -0.6799 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 51 52 M SBL 2 1 57 M SMT 2 ^ CH2OH M SBV 2 57 0.4331 -0.4876 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 53 54 M SBL 3 1 59 M SMT 3 CH2OH M SBV 3 59 -0.6461 -0.0959 S SKP 5 ID FL5FAAGL0110 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES O(C1CO)C(OC(=C4c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)C(c(c3O4)c(cc(c3)OC(C(O)2)OC(CO)C(O)C2O)O)=O)C(C(C(O)1)O)O M END