Mol:FL5FAAGA0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.9140 0.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 0.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 0.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 0.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 2.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 2.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 2.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -1.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7339 2.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -0.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 -0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3029 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5455 0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1696 1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 1.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -0.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6148 -0.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2483 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8938 -0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3162 -0.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 -1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8938 -2.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 -1.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 0.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 -1.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 -2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -2.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 -2.2769 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 21 8 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 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 21 33 1 0 0 0 0 26 38 1 0 0 0 0 41 42 1 0 0 0 0 35 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -0.1053 0.9107 S SKP 5 ID FL5FAAGA0007 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES C(C5O)(OC(C)C(C5O)O)OC(C(OC(C4=O)=C(Oc(c43)cc(O)cc3O)c(c2)ccc(c2)O)1)C(O)C(C(CO)O1)O M END