Mol:FL5FCCGA0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -2.6554 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6554 -1.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 -1.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -1.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -0.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -2.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 -0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8302 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 -0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8302 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -3.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 0.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -2.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8302 1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9964 -2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 -2.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 -2.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1004 -2.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 -2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7439 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0547 -1.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4626 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1999 3.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5282 2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3357 2.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 2.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 2.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 3.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 3.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6135 3.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 -2.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 -3.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2561 -0.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 0.3484 0.0000 C 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 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 21 34 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 43 44 1 0 0 0 0 1 43 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 -0.7978 -0.1220 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 48 M SMT 2 ^ OCH3 M SBV 2 48 0.6007 -0.3468 S SKP 5 ID FL5FCCGA0005 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES OC(C1OC(=C3c(c4)cc(OC(O5)C(C(C(C(C)5)O)O)O)c(c4)O)C(c(c2O)c(O3)cc(c2)OC)=O)C(C(O)C(O1)CO)O M END
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