Mol:FL3FADDS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -0.8982 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2451 -2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2451 -0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2451 -2.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -2.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 -0.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5802 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9181 -1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 -0.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 -0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -0.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2031 -0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6179 -1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6509 -1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2051 1.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4559 0.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 0.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 2.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 1.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 0.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9617 1.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 2.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1403 2.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3133 -0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2734 0.4074 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 20 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 6 33 1 0 0 0 0 39 40 1 0 0 0 0 17 39 1 0 0 0 0 35 41 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 26 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 OCH3 M SBV 1 44 -0.3762 -0.7471 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 45 M SMT 2 CH2OH M SBV 2 45 0.1113 -0.8097 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 43 44 M SBL 3 1 48 M SMT 3 ^ CH2OH M SBV 3 48 0.6071 -0.4764 S SKP 5 ID FL3FADDS0002 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES C(C1O)(O)C(c(c24)c(OC(C(O)5)OC(CO)C(O)C5O)cc(c2C(=O)C=C(O4)c(c3)ccc(O)c3OC)O)OC(CO)C1O M END