Mol:FL3FFACS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7498 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7498 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0353 1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0353 1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3208 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3208 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3208 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3208 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0353 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0353 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7498 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7498 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3937 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3937 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1081 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1081 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3937 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3937 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7539 1.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7539 1.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3937 -1.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3937 -1.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0353 -0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0353 -0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5315 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5315 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2460 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2460 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9604 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9604 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9604 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9604 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2460 2.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2460 2.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5315 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5315 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5757 2.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5757 2.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3776 0.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3776 0.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8311 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8311 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4185 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4185 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6201 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6201 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8266 -0.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8266 -0.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2392 0.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2392 0.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0376 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0376 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4583 0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4583 0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2018 0.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2018 0.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5757 0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5757 0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1318 -0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1318 -0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0558 -0.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0558 -0.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9606 -1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9606 -1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9606 -2.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9606 -2.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7765 -2.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7765 -2.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9444 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9444 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4087 -1.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4087 -1.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3258 -1.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3258 -1.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7765 -1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7765 -1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3666 -1.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3666 -1.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4386 -0.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4386 -0.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3937 2.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3937 2.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0474 2.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0474 2.4467 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 11 21 1 0 0 0 0 | + | 11 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 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 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 9 1 0 0 0 0 | + | 25 9 1 0 0 0 0 |
| − | 39 33 1 1 0 0 0 | + | 39 33 1 1 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 37 39 1 1 0 0 0 | + | 37 39 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 39 35 1 0 0 0 0 | + | 39 35 1 0 0 0 0 |
| − | 40 37 1 0 0 0 0 | + | 40 37 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 7 42 1 0 0 0 0 | + | 7 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFACS0003 | + | ID FL3FFACS0003 |
| − | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
| − | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
| − | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
| − | SMILES COc(c12)c(OC)c(C(O4)C(OC(O5)C(C(O)(C5)CO)O)C(O)C(O)C4CO)c(c1C(=O)C=C(c(c3)ccc(c3)O)O2)O | + | SMILES COc(c12)c(OC)c(C(O4)C(OC(O5)C(C(O)(C5)CO)O)C(O)C(O)C4CO)c(c1C(=O)C=C(c(c3)ccc(c3)O)O2)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/
43 47 0 0 0 0 0 0 0 0999 V2000
1.7498 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0353 1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3208 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3208 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0353 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7498 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1081 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1081 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7539 1.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 -1.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0353 -0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5315 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2460 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9604 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9604 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2460 2.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5315 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5757 2.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3776 0.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4185 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6201 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8266 -0.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2392 0.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0376 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4583 0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2018 0.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5757 0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1318 -0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0558 -0.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9606 -1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9606 -2.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7765 -2.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9444 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4087 -1.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3258 -1.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7765 -1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3666 -1.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4386 -0.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 2.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0474 2.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
11 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 9 1 0 0 0 0
39 33 1 1 0 0 0
38 33 1 1 0 0 0
37 39 1 1 0 0 0
33 34 1 0 0 0 0
39 35 1 0 0 0 0
40 37 1 0 0 0 0
36 41 1 0 0 0 0
38 40 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
7 42 1 0 0 0 0
42 43 1 0 0 0 0
S SKP 5
ID FL3FFACS0003
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES COc(c12)c(OC)c(C(O4)C(OC(O5)C(C(O)(C5)CO)O)C(O)C(O)C4CO)c(c1C(=O)C=C(c(c3)ccc(c3)O)O2)O
M END
