Mol:FL5FBCGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -3.5444 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5444 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 1.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 -0.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 -2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 -1.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2772 -2.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8587 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 -0.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7432 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2318 0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 -0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 -0.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 0.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -0.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 -1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 -2.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1911 -3.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 1.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 2.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 -0.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -1.4077 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 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 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 18 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 32 1 0 0 0 0 29 33 1 0 0 0 0 28 34 1 0 0 0 0 22 35 1 0 0 0 0 34 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 31 8 1 0 0 0 0 26 31 1 0 0 0 0 25 39 1 0 0 0 0 1 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 43 44 1 0 0 0 0 3 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 43 44 M SBL 1 1 48 M SMT 1 OCH3 M SBV 1 48 0.0000 0.7056 S SKP 5 ID FL5FBCGL0002 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES C(C1COC(O5)C(C(C(O)C(C)5)O)O)(C(O)C(O)C(OC(C4=O)=C(Oc(c34)cc(O)cc3OC)c(c2)ccc(c2O)O)O1)O M END