Mol:FL3FACGS0060
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.3472 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3472 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3472 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3472 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0483 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0483 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7494 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7494 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7494 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7494 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0483 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0483 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4504 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4504 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1515 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1515 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1515 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1515 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4504 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4504 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4504 -2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4504 -2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8523 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8523 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5668 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5668 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2812 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2812 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2812 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2812 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5668 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5668 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8523 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8523 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4602 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4602 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0483 -2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0483 -2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9963 1.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9963 1.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5668 2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5668 2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2504 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2504 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2504 -0.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2504 -0.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9103 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9103 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9103 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9103 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6776 -0.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6776 -0.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4746 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4746 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9135 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9135 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1057 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1057 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3263 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3263 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8927 -0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8927 -0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5994 -0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5994 -0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9963 -0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9963 -0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6699 -0.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6699 -0.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2808 -1.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2808 -1.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0492 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0492 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7215 0.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7215 0.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7314 0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7314 0.0834 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 36 38 2 0 0 0 0 | + | 36 38 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0060 | + | ID FL3FACGS0060 |
| − | FORMULA C24H22O14 | + | FORMULA C24H22O14 |
| − | EXACTMASS 534.100955412 | + | EXACTMASS 534.100955412 |
| − | AVERAGEMASS 534.42308 | + | AVERAGEMASS 534.42308 |
| − | SMILES c(c4)(O)c(cc(c4)C(=C3)Oc(c1)c(C3=O)c(cc(OC(C(OC(C2O)OC(C(O)=O)C(C(O)2)O)C)=O)1)O)O | + | SMILES c(c4)(O)c(cc(c4)C(=C3)Oc(c1)c(C3=O)c(cc(OC(C(OC(C2O)OC(C(O)=O)C(C(O)2)O)C)=O)1)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/
38 41 0 0 0 0 0 0 0 0999 V2000
0.3472 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3472 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0483 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7494 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7494 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0483 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4504 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1515 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1515 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4504 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4504 -2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8523 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5668 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2812 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2812 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5668 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8523 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4602 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0483 -2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9963 1.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5668 2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2504 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2504 -0.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9103 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9103 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 -0.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4746 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9135 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1057 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3263 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8927 -0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5994 -0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9963 -0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6699 -0.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2808 -1.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0492 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7215 0.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7314 0.0834 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 26 1 0 0 0 0
32 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 2 0 0 0 0
S SKP 5
ID FL3FACGS0060
FORMULA C24H22O14
EXACTMASS 534.100955412
AVERAGEMASS 534.42308
SMILES c(c4)(O)c(cc(c4)C(=C3)Oc(c1)c(C3=O)c(cc(OC(C(OC(C2O)OC(C(O)=O)C(C(O)2)O)C)=O)1)O)O
M END
