Mol:FL5FACGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.7191 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7191 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7191 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7191 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0179 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0179 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3168 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3168 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3168 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3168 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0179 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0179 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6157 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6157 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9146 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9146 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9146 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9146 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6157 0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6157 0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6157 -2.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6157 -2.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2138 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2138 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5007 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5007 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2153 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2153 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2153 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2153 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5007 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5007 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2138 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2138 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4199 0.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4199 0.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2014 -1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2014 -1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1785 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1785 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6900 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6900 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6294 -1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6294 -1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5747 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5747 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0633 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0633 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1237 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1237 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3047 -1.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3047 -1.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4625 -0.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4625 -0.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8928 -1.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8928 -1.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9297 1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9297 1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0179 -2.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0179 -2.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5007 2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5007 2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7586 -2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7586 -2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4199 -2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4199 -2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4138 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4138 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1491 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1491 -0.7917 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 23 34 1 0 0 0 0 | + | 23 34 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 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 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 2 37 38 | + | M SBL 1 2 37 38 |
| − | M SMT 1 CO | + | M SMT 1 CO |
| − | M SBV 1 37 -0.8392 -0.1769 | + | M SBV 1 37 -0.8392 -0.1769 |
| − | M SBV 1 38 0.3448 -0.6983 | + | M SBV 1 38 0.3448 -0.6983 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0009 | + | ID FL5FACGS0009 |
| − | FORMULA C22H20O13 | + | FORMULA C22H20O13 |
| − | EXACTMASS 492.090390726 | + | EXACTMASS 492.090390726 |
| − | AVERAGEMASS 492.3864 | + | AVERAGEMASS 492.3864 |
| − | SMILES O=C(C(O1)C(O)C(O)C(O)C(OC(C3=O)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)O)1)OC | + | SMILES O=C(C(O1)C(O)C(O)C(O)C(OC(C3=O)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)O)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-3.7191 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7191 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0179 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3168 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3168 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0179 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6157 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9146 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9146 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6157 0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6157 -2.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2153 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2153 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4199 0.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2014 -1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1785 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6900 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6294 -1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5747 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0633 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3047 -1.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4625 -0.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8928 -1.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9297 1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0179 -2.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7586 -2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4199 -2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4138 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1491 -0.7917 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 1 0 0 0 0
34 35 2 0 0 0 0
23 34 1 0 0 0 0
32 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 2 37 38
M SMT 1 CO
M SBV 1 37 -0.8392 -0.1769
M SBV 1 38 0.3448 -0.6983
S SKP 5
ID FL5FACGS0009
FORMULA C22H20O13
EXACTMASS 492.090390726
AVERAGEMASS 492.3864
SMILES O=C(C(O1)C(O)C(O)C(O)C(OC(C3=O)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)O)1)OC
M END
