Mol:FL5FAEGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 1.4295 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 1.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 -0.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 1.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -0.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 2.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 3.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5717 2.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0339 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 -0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 -1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9968 -1.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 -1.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 -2.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 -2.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8668 -1.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0889 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0254 -3.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 -2.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4434 -2.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -1.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 -2.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 -3.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4166 -3.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 -3.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -2.9172 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 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 21 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 FL5FAEGS0005 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES OC(C1O)C(OC(C(OC(C5=O)=C(Oc(c54)cc(O)cc4O)c(c3)ccc(OC)c(O)3)2)C(O)C(O)C(CO)O2)OC(C)C1O M END