Mol:FL3F4AGS0001
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 |
| − | -0.1527 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1527 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1527 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1527 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5617 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5617 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2762 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2762 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2762 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2762 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5617 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5617 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9906 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9906 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7051 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7051 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7051 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7051 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9906 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9906 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4195 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4195 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1340 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1340 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8484 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8484 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8484 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8484 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1340 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1340 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4195 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4195 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9906 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9906 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5947 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5947 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8723 0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8723 0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5617 1.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5617 1.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2344 1.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2344 1.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8705 -1.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8705 -1.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5442 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5442 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6442 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6442 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2316 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2316 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4332 -1.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4332 -1.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6397 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6397 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0523 -0.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0523 -0.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8507 -0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8507 -0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9658 -1.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9658 -1.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1656 -0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1656 -0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7383 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7383 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1546 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1546 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8783 -0.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8783 -0.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2090 0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2090 0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0164 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0164 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5545 0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5545 0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5055 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5055 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6981 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6981 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1599 0.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1599 0.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0654 1.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0654 1.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5180 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5180 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2344 0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2344 0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0470 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0470 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 38 44 1 0 0 0 0 | + | 38 44 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3F4AGS0001 | + | ID FL3F4AGS0001 |
| − | FORMULA C29H34O15 | + | FORMULA C29H34O15 |
| − | EXACTMASS 622.189770418 | + | EXACTMASS 622.189770418 |
| − | AVERAGEMASS 622.5712599999999 | + | AVERAGEMASS 622.5712599999999 |
| − | SMILES c(c5OC)(cc(c(c(O)5)4)C(=O)C=C(O4)c(c3)ccc(OC)c3)OC(C(O)1)OC(COC(O2)C(C(C(O)C(C)2)O)O)C(O)C(O)1 | + | SMILES c(c5OC)(cc(c(c(O)5)4)C(=O)C=C(O4)c(c3)ccc(OC)c3)OC(C(O)1)OC(COC(O2)C(C(C(O)C(C)2)O)O)C(O)C(O)1 |
M END | M END | ||
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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
-0.1527 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1527 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5617 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2762 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2762 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5617 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9906 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7051 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7051 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9906 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4195 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1340 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8484 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8484 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1340 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4195 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9906 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5947 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8723 0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5617 1.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2344 1.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8705 -1.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5442 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6442 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2316 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4332 -1.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6397 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0523 -0.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8507 -0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9658 -1.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1656 -0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7383 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1546 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8783 -0.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2090 0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0164 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5545 0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5055 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6981 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1599 0.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0654 1.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5180 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2344 0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0470 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
19 1 1 0 0 0 0
6 20 1 0 0 0 0
18 21 1 0 0 0 0
2 22 1 0 0 0 0
19 23 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 29 1 0 0 0 0
29 24 1 0 0 0 0
26 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
37 43 1 0 0 0 0
38 44 1 0 0 0 0
34 39 1 0 0 0 0
27 22 1 0 0 0 0
S SKP 5
ID FL3F4AGS0001
FORMULA C29H34O15
EXACTMASS 622.189770418
AVERAGEMASS 622.5712599999999
SMILES c(c5OC)(cc(c(c(O)5)4)C(=O)C=C(O4)c(c3)ccc(OC)c3)OC(C(O)1)OC(COC(O2)C(C(C(O)C(C)2)O)O)C(O)C(O)1
M END
