Mol:FL7AAAGA0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -3.4566 1.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4566 0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 1.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 1.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 1.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 1.8063 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.0483 1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7626 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7626 3.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 3.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1573 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 -0.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 0.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 -1.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 -2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -1.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 -2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 -1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2043 -1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5182 -1.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3274 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7232 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0277 1.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 -2.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 -2.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6359 -3.0437 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 20 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAAGA0003 FORMULA C27H31O14 EXACTMASS 579.1713807 AVERAGEMASS 579.52664 SMILES O(C1C)C(OCC(O2)C(O)C(C(C2Oc(c4c(c5)ccc(O)c5)cc(c3[o+1]4)c(cc(c3)O)O)O)O)C(C(O)C(O)1)O M END