Mol:FL5FCBGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 1.1286 2.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 2.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 3.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 2.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 2.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 3.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8086 1.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 2.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0855 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1406 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0808 -0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 -0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5119 -1.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4715 -1.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8171 -2.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -1.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1623 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 -3.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -2.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 -2.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9365 -2.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6345 -3.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 -3.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3165 -2.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 37 42 1 0 0 0 0 36 43 1 0 0 0 0 35 44 1 0 0 0 0 39 34 1 0 0 0 0 27 19 1 0 0 0 0 S SKP 5 ID FL5FCBGS0001 FORMULA C29H34O15 EXACTMASS 622.189770418 AVERAGEMASS 622.5712599999999 SMILES O(c(c5)cc(c(c(O)5)4)OC(=C(C4=O)OC(O3)C(C(O)C(O)C(CO)3)OC(C(O)2)OC(C)C(C2O)O)c(c1)ccc(OC)c1)C M END
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