Mol:FL5FCDGA0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 55 60 0 0 0 0 0 0 0 0999 V2000 | + | 55 60 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0164 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0164 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0164 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0164 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3154 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3154 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6144 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6144 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6144 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6144 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3154 1.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3154 1.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9134 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9134 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2124 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2124 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2124 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2124 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9134 1.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9134 1.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 -0.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 -0.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4884 1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4884 1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2029 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2029 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9174 1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9174 1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9174 2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9174 2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2029 2.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2029 2.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4884 2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4884 2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5951 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5951 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3154 -0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3154 -0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5251 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5251 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1021 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1021 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9155 -1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9155 -1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7340 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7340 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1571 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1571 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3436 -1.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3436 -1.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7802 -1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7802 -1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5602 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5602 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1372 -0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1372 -0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9506 -0.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9506 -0.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7691 -0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7691 -0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1922 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1922 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3787 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3787 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8804 0.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8804 0.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7150 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7150 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1404 1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1404 1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5048 -0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5048 -0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0860 -0.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0860 -0.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4704 -1.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4704 -1.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4044 -2.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4044 -2.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7340 -2.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7340 -2.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4945 2.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4945 2.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0057 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0057 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5826 -4.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5826 -4.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3962 -3.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3962 -3.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2146 -4.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2146 -4.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6377 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6377 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8241 -3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8241 -3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2236 -3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2236 -3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0696 -3.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0696 -3.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8025 -4.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8025 -4.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2146 -4.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2146 -4.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1902 3.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1902 3.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7464 4.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7464 4.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5271 1.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5271 1.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1571 2.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1571 2.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 24 37 1 0 0 0 0 | + | 24 37 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | 41 15 1 0 0 0 0 | + | 41 15 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 39 1 0 0 0 0 | + | 46 39 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 16 52 1 0 0 0 0 | + | 16 52 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 1 54 1 0 0 0 0 | + | 1 54 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 52 53 | + | M SAL 1 2 52 53 |
| − | M SBL 1 1 58 | + | M SBL 1 1 58 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 58 0.0128 -0.6833 | + | M SBV 1 58 0.0128 -0.6833 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 54 55 | + | M SAL 2 2 54 55 |
| − | M SBL 2 1 60 | + | M SBL 2 1 60 |
| − | M SMT 2 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 60 0.5106 -0.4483 | + | M SBV 2 60 0.5106 -0.4483 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCDGA0003 | + | ID FL5FCDGA0003 |
| − | FORMULA C35H44O20 | + | FORMULA C35H44O20 |
| − | EXACTMASS 784.242593848 | + | EXACTMASS 784.242593848 |
| − | AVERAGEMASS 784.71186 | + | AVERAGEMASS 784.71186 |
| − | SMILES Oc(c6)c(c5cc(OC)6)C(C(=C(O5)c(c4)cc(c(c4)O)OC)OC(O1)C(O)C(C(C(COC(O3)C(O)C(C(C3C)O)OC(C2O)OC(C(O)C2O)C)1)O)O)=O | + | SMILES Oc(c6)c(c5cc(OC)6)C(C(=C(O5)c(c4)cc(c(c4)O)OC)OC(O1)C(O)C(C(C(COC(O3)C(O)C(C(C3C)O)OC(C2O)OC(C(O)C2O)C)1)O)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-3.0164 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0164 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3154 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6144 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6144 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3154 1.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2124 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2124 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 1.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -0.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4884 1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2029 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9174 1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9174 2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2029 2.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4884 2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5951 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3154 -0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1021 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9155 -1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7340 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1571 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3436 -1.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7802 -1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5602 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1372 -0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9506 -0.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7691 -0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1922 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3787 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 0.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7150 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1404 1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5048 -0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0860 -0.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4704 -1.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4044 -2.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7340 -2.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4945 2.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0057 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5826 -4.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3962 -3.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2146 -4.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6377 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8241 -3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2236 -3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0696 -3.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8025 -4.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2146 -4.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1902 3.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7464 4.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5271 1.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1571 2.7977 0.0000 C 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
32 34 1 0 0 0 0
31 35 1 0 0 0 0
30 36 1 0 0 0 0
24 37 1 0 0 0 0
36 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
28 18 1 0 0 0 0
41 15 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 39 1 0 0 0 0
52 53 1 0 0 0 0
16 52 1 0 0 0 0
54 55 1 0 0 0 0
1 54 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 ^ OCH3
M SBV 1 58 0.0128 -0.6833
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 54 55
M SBL 2 1 60
M SMT 2 ^ OCH3
M SBV 2 60 0.5106 -0.4483
S SKP 5
ID FL5FCDGA0003
FORMULA C35H44O20
EXACTMASS 784.242593848
AVERAGEMASS 784.71186
SMILES Oc(c6)c(c5cc(OC)6)C(C(=C(O5)c(c4)cc(c(c4)O)OC)OC(O1)C(O)C(C(C(COC(O3)C(O)C(C(C3C)O)OC(C2O)OC(C(O)C2O)C)1)O)O)=O
M END
