Mol:FL3FAACS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -1.4627 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4627 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 -0.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 -0.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 -2.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4743 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9221 0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 0.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8089 2.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 2.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 0.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 -2.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1891 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1891 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4475 0.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8021 -2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1395 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4475 -1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1133 -2.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1929 -2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 2.9471 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 26 29 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 33 2 1 0 0 0 0 39 40 1 0 0 0 0 18 39 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 CH2OH M SBV 1 44 -0.3970 -0.3970 S SKP 5 ID FL3FAACS0013 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O M END