Mol:FL3FEAGS0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.7815 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0805 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6203 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6203 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0805 1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 1.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 1.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4374 1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1517 1.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1517 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4374 3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 1.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8659 3.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0805 -0.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4809 0.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 -0.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1937 0.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5481 -0.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2589 -0.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 -1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -2.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 -2.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6322 -2.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 -1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 -1.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9485 -2.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8659 -2.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5884 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6322 -3.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 1.7731 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 20 3 1 0 0 0 0 2 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 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 35 30 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 31 39 1 0 0 0 0 34 40 1 0 0 0 0 25 21 1 0 0 0 0 41 42 1 0 0 0 0 27 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 ^ CH2OH M SBV 1 46 0.3536 -0.9480 S SKP 5 ID FL3FEAGS0011 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(c5)(ccc(c5)C(O4)=CC(c(c34)c(O)c(c(c3)O)OC(C1OC(C2O)OC(C)C(C2O)O)OC(CO)C(C(O)1)O)=O)O M END
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