Mol:FL3FFCGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -0.1506 -1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1506 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 -1.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 -3.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1594 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 -1.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5088 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5088 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 -0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1594 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 0.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 -3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -0.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3443 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3643 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 3.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 2.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9905 2.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6026 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8459 1.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6275 1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 2.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5818 1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 1.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7974 1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3428 2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2943 1.8491 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 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 16 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 6 21 1 0 0 0 0 22 15 1 0 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 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 25 32 1 0 0 0 0 24 21 1 0 0 0 0 31 33 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 37 33 1 0 0 0 0 43 44 1 0 0 0 0 39 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 ^CH2OH M SBV 1 48 0.7610 -0.5429 S SKP 5 ID FL3FFCGS0006 FORMULA C27H30O17 EXACTMASS 626.148299534 AVERAGEMASS 626.5169000000001 SMILES C(C5=O)=C(Oc(c54)c(c(O)cc(O)4)OC(C(O)3)OC(C(O)C(O)3)COC(C2O)OC(C(C(O)2)O)CO)c(c1)ccc(O)c1O M END