Mol:FL5FEAGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.7577 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 -0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 -0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3556 -0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3556 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 -0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 -0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 0.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 -1.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 1.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 1.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 0.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 -1.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 -0.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6373 -2.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1778 -1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6373 -0.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8885 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -1.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6359 -3.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2394 -3.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 -2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 1.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 1.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 2.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 2.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5451 3.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4684 2.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7794 1.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 2.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 1.5636 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 19 1 0 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 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 33 18 1 0 0 0 0 42 43 1 0 0 0 0 15 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 47 M SMT 1 OCH3 M SBV 1 47 -0.7029 -0.4058 S SKP 5 ID FL5FEAGS0011 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES Oc(c4O)c(c2cc(OC(O5)C(O)C(O)C(O)C(C)5)4)C(C(=C(c(c3)ccc(OC)c3)O2)OC(O1)C(C(O)C(C1C)O)O)=O M END