Mol:FL5FADGS0011
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 |
| − | -3.5307 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5307 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5307 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5307 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8162 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8162 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1017 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1017 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1017 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1017 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8162 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8162 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3873 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3873 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6728 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6728 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6728 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6728 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3873 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3873 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3873 -1.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3873 -1.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2269 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2269 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9551 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9551 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6833 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6833 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6833 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6833 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9551 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9551 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2269 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2269 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8162 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8162 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4051 1.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4051 1.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3841 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3841 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1026 -1.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1026 -1.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5549 -2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5549 -2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2425 -2.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2425 -2.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0243 -2.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0243 -2.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2425 -1.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2425 -1.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5549 -1.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5549 -1.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7731 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7731 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6163 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6163 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5906 -3.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5906 -3.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1091 -3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1091 -3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5396 -2.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5396 -2.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4085 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4085 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9244 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9244 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6674 -1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6674 -1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3841 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3841 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8632 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8632 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2134 -1.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2134 -1.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3278 -2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3278 -2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0132 -2.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0132 -2.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3725 -2.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3725 -2.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9698 2.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9698 2.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5366 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5366 3.7262 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 |
| − | 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 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 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 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 32 28 1 0 0 0 0 | + | 32 28 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 16 41 1 0 0 0 0 | + | 16 41 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 46 -0.0148 -0.6768 | + | M SBV 1 46 -0.0148 -0.6768 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0011 | + | ID FL5FADGS0011 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES C(C2OC(C3=O)=C(c(c5)ccc(c5OC)O)Oc(c4)c(c(cc4O)O)3)(C(O)C(C(C)O2)O)OC(O1)C(C(C(C1)O)O)O | + | SMILES C(C2OC(C3=O)=C(c(c5)ccc(c5OC)O)Oc(c4)c(c(cc4O)O)3)(C(O)C(C(C)O2)O)OC(O1)C(C(C(C1)O)O)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
-3.5307 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5307 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1017 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1017 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6728 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6728 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 -1.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6833 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6833 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 1.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3841 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1026 -1.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5549 -2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -2.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0243 -2.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -1.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5549 -1.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7731 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6163 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5906 -3.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1091 -3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5396 -2.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4085 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9244 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6674 -1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3841 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8632 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2134 -1.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3278 -2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0132 -2.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3725 -2.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9698 2.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5366 3.7262 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
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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 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
35 40 1 0 0 0 0
32 28 1 0 0 0 0
41 42 1 0 0 0 0
16 41 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 OCH3
M SBV 1 46 -0.0148 -0.6768
S SKP 5
ID FL5FADGS0011
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C2OC(C3=O)=C(c(c5)ccc(c5OC)O)Oc(c4)c(c(cc4O)O)3)(C(O)C(C(C)O2)O)OC(O1)C(C(C(C1)O)O)O
M END
