Mol:FL5FACGL0076
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 62 68 0 0 0 0 0 0 0 0999 V2000 -2.6089 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6089 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 1.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 1.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 -0.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 1.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 1.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 3.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3232 1.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 3.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 -0.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 3.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1548 -2.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6329 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2137 -0.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2228 -1.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 -3.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -2.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 -1.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 -1.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4827 -1.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 -2.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2741 -2.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 -2.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5049 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1547 -2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 -3.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9031 -1.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7952 2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2973 2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 3.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7952 3.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5638 2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3804 4.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 3.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1354 3.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 -1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 -1.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 -1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 -2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 -1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4714 2.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6095 -2.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -3.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 -4.3206 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 20 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 37 38 1 0 0 0 0 36 39 1 0 0 0 0 33 31 1 0 0 0 0 40 32 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 46 49 1 0 0 0 0 18 42 1 0 0 0 0 38 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 52 1 0 0 0 0 41 58 1 0 0 0 0 59 60 1 0 0 0 0 28 59 1 0 0 0 0 61 62 1 0 0 0 0 35 61 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 59 60 M SBL 1 1 66 M SMT 1 ^ CH2OH M SBV 1 66 0.6759 0.2754 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 61 62 M SBL 2 1 68 M SMT 2 CH2OH M SBV 2 68 -0.3728 0.8030 S SKP 5 ID FL5FACGL0076 FORMULA C40H44O22 EXACTMASS 876.232423092 AVERAGEMASS 876.7641600000001 SMILES C(OC(C(O)6)OC(C(O)C6OC(c(c7)cccc7)=O)CO)(C1OC(C4=O)=C(c(c5)ccc(c5O)O)Oc(c24)cc(OC(C(O)3)OC(C)C(O)C3O)cc2O)C(O)C(O)C(O1)CO M END
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