Mol:FL5FACGA0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.0801 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0801 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0801 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0801 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3737 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3737 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6674 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6674 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6674 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6674 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3737 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3737 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9610 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9610 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2546 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2546 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2546 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2546 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9610 1.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9610 1.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9610 -0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9610 -0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5485 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5485 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1713 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1713 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8913 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8913 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8913 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8913 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1713 2.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1713 2.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5485 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5485 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7862 1.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7862 1.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3737 -0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3737 -0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5062 2.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5062 2.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5485 -0.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5485 -0.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1713 3.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1713 3.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1393 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1393 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6466 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6466 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3973 -1.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3973 -1.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6466 -2.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6466 -2.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1393 -3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1393 -3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1099 -2.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1099 -2.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0387 -0.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0387 -0.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4520 -2.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4520 -2.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8982 -2.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8982 -2.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5949 -2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5949 -2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1567 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1567 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9655 -2.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9655 -2.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7139 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7139 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1795 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1795 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4712 -2.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4712 -2.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5298 -3.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5298 -3.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5245 -3.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5245 -3.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2375 -2.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2375 -2.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5356 -3.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5356 -3.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2764 -2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2764 -2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8791 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8791 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7862 -2.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7862 -2.8299 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 26 41 1 0 0 0 0 | + | 26 41 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 36 43 1 0 0 0 0 | + | 36 43 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 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 46 | + | M SBL 1 1 46 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 46 -0.1110 1.0345 | + | M SBV 1 46 -0.1110 1.0345 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
| − | M SBL 2 1 48 | + | M SBL 2 1 48 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 48 -0.6995 -0.1365 | + | M SBV 2 48 -0.6995 -0.1365 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGA0007 | + | ID FL5FACGA0007 |
| − | FORMULA C27H30O17 | + | FORMULA C27H30O17 |
| − | EXACTMASS 626.148299534 | + | EXACTMASS 626.148299534 |
| − | AVERAGEMASS 626.5169000000001 | + | AVERAGEMASS 626.5169000000001 |
| − | SMILES c(c(O)5)cc(cc5O)C(=C1OC(C(O)3)OC(C(OC(O4)C(O)C(O)C(O)C4CO)C3O)CO)Oc(c2)c(c(O)cc2O)C1=O | + | SMILES c(c(O)5)cc(cc5O)C(=C1OC(C(O)3)OC(C(OC(O4)C(O)C(O)C(O)C4CO)C3O)CO)Oc(c2)c(c(O)cc2O)C1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-4.0801 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0801 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3737 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6674 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6674 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3737 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 1.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 -0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1713 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8913 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8913 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1713 2.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7862 1.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3737 -0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5062 2.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 -0.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1713 3.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1393 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6466 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3973 -1.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6466 -2.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1393 -3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1099 -2.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0387 -0.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4520 -2.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8982 -2.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 -2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9655 -2.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7139 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1795 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4712 -2.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5298 -3.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5245 -3.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2375 -2.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5356 -3.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2764 -2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8791 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7862 -2.8299 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 21 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 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
31 32 1 0 0 0 0
35 40 1 0 0 0 0
41 42 1 0 0 0 0
26 41 1 0 0 0 0
43 44 1 0 0 0 0
36 43 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 -0.1110 1.0345
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 CH2OH
M SBV 2 48 -0.6995 -0.1365
S SKP 5
ID FL5FACGA0007
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES c(c(O)5)cc(cc5O)C(=C1OC(C(O)3)OC(C(OC(O4)C(O)C(O)C(O)C4CO)C3O)CO)Oc(c2)c(c(O)cc2O)C1=O
M END
