Mol:FL5FACGL0050
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -3.3634 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 -1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 -1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 -0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5056 -1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5056 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -2.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 -0.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 -0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8504 -0.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8504 0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 -2.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 -1.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4207 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -2.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 -1.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 -2.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1681 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7023 -1.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5649 -1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 1.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2784 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8766 1.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7688 1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5513 1.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 -0.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5508 0.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8214 0.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0528 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8214 1.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5508 2.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3193 1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 3.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 2.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 0.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2194 -2.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2194 -3.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8358 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7883 1.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3405 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7883 0.1502 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 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 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 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 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 1 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 32 19 1 0 0 0 0 14 40 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 43 49 1 0 0 0 0 30 42 1 0 0 0 0 50 51 1 0 0 0 0 24 50 1 0 0 0 0 52 53 1 0 0 0 0 46 52 1 0 0 0 0 54 55 1 0 0 0 0 34 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 56 M SMT 1 CH2OH M SBV 1 56 -0.6947 -0.0601 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 52 53 M SBL 2 1 58 M SMT 2 ^ CH2OH M SBV 2 58 0.5164 -0.4851 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 54 55 M SBL 3 1 60 M SMT 3 CH2OH M SBV 3 60 -0.7056 -0.0869 S SKP 5 ID FL5FACGL0050 FORMULA C33H40O22 EXACTMASS 788.201122964 AVERAGEMASS 788.6575 SMILES c(c2)(C(O5)=C(OC(O6)C(O)C(C(C6CO)O)O)C(=O)c(c45)c(cc(c4)OC(C(O)3)OC(CO)C(O)C3O)O)ccc(c2O)OC(O1)C(O)C(C(O)C1CO)O M END
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