Mol:FL4DACGS0027
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5040 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5040 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7838 1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7838 1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5128 0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5128 0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7999 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7999 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0843 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0843 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0730 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0730 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3712 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3712 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3469 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3469 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3537 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3537 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3529 1.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3529 1.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0920 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0920 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1009 2.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 2.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8201 2.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8201 2.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5285 2.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5285 2.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5221 1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5221 1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8021 1.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8021 1.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3861 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3861 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2123 1.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2123 1.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0354 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0354 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2123 1.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2123 1.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1981 2.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1981 2.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0114 -2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0114 -2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1952 -2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1952 -2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1368 -1.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1368 -1.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8074 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8074 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0087 -0.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0087 -0.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3409 -1.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3409 -1.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4598 -1.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4598 -1.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8327 -2.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8327 -2.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2124 -2.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2124 -2.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7999 -0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7999 -0.7943 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 4 31 1 0 0 0 0 | + | 4 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0027 | + | ID FL4DACGS0027 |
| − | FORMULA C20H20O11 | + | FORMULA C20H20O11 |
| − | EXACTMASS 436.100561482 | + | EXACTMASS 436.100561482 |
| − | AVERAGEMASS 436.3662 | + | AVERAGEMASS 436.3662 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.5040 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5128 0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0843 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0730 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3712 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3469 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3537 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 1.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0920 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 2.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8201 2.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5285 2.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5221 1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8021 1.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3861 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2123 1.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0354 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2123 1.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1981 2.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0114 -2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1952 -2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1368 -1.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8074 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0087 -0.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3409 -1.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4598 -1.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8327 -2.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2124 -2.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 -0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 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
1 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
14 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
4 31 1 0 0 0 0
S SKP 5
ID FL4DACGS0027
FORMULA C20H20O11
EXACTMASS 436.100561482
AVERAGEMASS 436.3662
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O
M END
