Mol:FL5FAAGA0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1324 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1324 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1324 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1324 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4314 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4314 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7303 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7303 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7303 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7303 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4314 2.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4314 2.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0293 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0293 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3283 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3283 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3283 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3283 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0293 2.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0293 2.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0293 -0.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0293 -0.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3725 2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3725 2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0870 1.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0870 1.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8015 2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8015 2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8015 3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8015 3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0870 3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0870 3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3725 3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3725 3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4314 -0.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4314 -0.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9486 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9486 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4600 -2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4600 -2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3995 -2.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3995 -2.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3445 -2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3445 -2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8331 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8331 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8937 -2.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8937 -2.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0413 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0413 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7249 0.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7249 0.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9765 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9765 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9510 0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9510 0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7473 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7473 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4958 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4958 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5212 0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5212 0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4520 0.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4520 0.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0946 0.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0946 0.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4963 0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4963 0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4872 -0.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4872 -0.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7042 -1.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7042 -1.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8509 -2.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8509 -2.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 -3.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 -3.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3665 -3.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3665 -3.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2583 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2583 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8331 2.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8331 2.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5157 3.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5157 3.4156 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 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 |
| − | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | 1 41 1 0 0 0 0 | + | 1 41 1 0 0 0 0 |
| − | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGA0008 | + | ID FL5FAAGA0008 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C4O)OC(C(C(O)4)O)COC(O3)C(C(O)C(O)C3C)O)1)O | + | SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C4O)OC(C(C(O)4)O)COC(O3)C(C(O)C(O)C3C)O)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.1324 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1324 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4314 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7303 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7303 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4314 2.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0293 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3283 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3283 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0293 2.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0293 -0.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0870 1.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8015 2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8015 3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0870 3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4314 -0.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9486 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4600 -2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3995 -2.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3445 -2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8331 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8937 -2.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0413 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7249 0.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9765 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7473 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4958 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5212 0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4520 0.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0946 0.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4963 0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4872 -0.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7042 -1.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8509 -2.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 -3.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3665 -3.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2583 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8331 2.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5157 3.4156 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
S SKP 5
ID FL5FAAGA0008
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C4O)OC(C(C(O)4)O)COC(O3)C(C(O)C(O)C3C)O)1)O
M END
