Mol:FL5FEAGS0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.8110 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8110 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0966 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0966 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0966 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0966 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8110 2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8110 2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5255 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5255 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5255 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5255 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3821 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3821 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3324 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3324 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0468 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0468 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3324 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3324 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3821 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3821 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4758 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4758 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4758 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4758 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3324 -0.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3324 -0.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1290 2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1290 2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7453 2.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7453 2.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9913 -0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9913 -0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 -0.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 -0.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4459 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4459 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2604 1.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2604 1.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7453 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7453 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2604 0.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2604 0.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0150 -1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0150 -1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2072 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2072 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1691 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1691 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8672 -0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8672 -0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0593 -0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0593 -0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3171 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3171 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9107 -1.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9107 -1.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5946 -2.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5946 -2.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1770 -2.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1770 -2.7684 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 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 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 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 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FEAGS0026 | + | ID FL5FEAGS0026 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES C(=O)(c23)C(=C(c(c5)ccc(OC)c5)Oc2cc(O4)c(OC4)c3OC)OC(C(O)1)OCC(C(O)1)O | + | SMILES C(=O)(c23)C(=C(c(c5)ccc(OC)c5)Oc2cc(O4)c(OC4)c3OC)OC(C(O)1)OCC(C(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
1.8110 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8110 2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5255 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5255 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3821 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3324 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3324 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3821 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4758 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4758 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3324 -0.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1290 2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7453 2.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9913 -0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -0.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4459 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2604 1.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7453 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2604 0.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 -1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2072 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1691 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8672 -0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0593 -0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3171 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -1.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5946 -2.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1770 -2.7684 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
11 17 2 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
12 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 15 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
28 32 1 0 0 0 0
27 33 1 0 0 0 0
26 34 1 0 0 0 0
29 20 1 0 0 0 0
S SKP 5
ID FL5FEAGS0026
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES C(=O)(c23)C(=C(c(c5)ccc(OC)c5)Oc2cc(O4)c(OC4)c3OC)OC(C(O)1)OCC(C(O)1)O
M END
