Mol:FL2FF8GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4310 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4310 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4310 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4310 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2835 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2835 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9980 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9980 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9980 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9980 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2835 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2835 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7124 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7124 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2835 -1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2835 -1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1454 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1454 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8599 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8599 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8599 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8599 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1454 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1454 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4269 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4269 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1414 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1414 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1414 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1414 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4269 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4269 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7124 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7124 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9980 2.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9980 2.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1454 2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1454 2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5744 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5744 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1454 -1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1454 -1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8599 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8599 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9980 3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9980 3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6325 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6325 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2158 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2158 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8073 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8073 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8040 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8040 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2206 -1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2206 -1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6290 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6290 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1282 -2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1282 -2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4269 0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4269 0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2889 -0.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2889 -0.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9432 -3.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9432 -3.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1554 -3.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1554 -3.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1296 -2.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1296 -2.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5118 -2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5118 -2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2889 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2889 0.9364 0.0000 C 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 1 0 0 0 0 | + | 3 4 1 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 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
| − | 3 8 2 0 0 0 0 | + | 3 8 2 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 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 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 2 1 0 0 0 0 | + | 12 2 1 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 7 1 0 0 0 0 | + | 17 7 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 25 34 1 0 0 0 0 | + | 25 34 1 0 0 0 0 |
| − | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
| − | 30 36 2 0 0 0 0 | + | 30 36 2 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FF8GS0001 | + | ID FL2FF8GS0001 |
| − | FORMULA C24H26O13 | + | FORMULA C24H26O13 |
| − | EXACTMASS 522.137340918 | + | EXACTMASS 522.137340918 |
| − | AVERAGEMASS 522.45544 | + | AVERAGEMASS 522.45544 |
| − | SMILES C(C2)(c(c(OC)3)c(OC(O4)C(O)C(O)C(C(C(O)=O)4)O)ccc3)Oc(c(C2=O)1)c(OC)c(cc1O)OC | + | SMILES C(C2)(c(c(OC)3)c(OC(O4)C(O)C(O)C(C(C(O)=O)4)O)ccc3)Oc(c(C2=O)1)c(OC)c(cc1O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.4310 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4310 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2835 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2835 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7124 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2835 -1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1454 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8599 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8599 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1454 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4269 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1414 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1414 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4269 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7124 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 2.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1454 2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5744 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1454 -1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8599 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6325 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2158 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8073 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8040 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2206 -1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6290 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1282 -2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4269 0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2889 -0.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9432 -3.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1554 -3.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1296 -2.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5118 -2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2889 0.9364 0.0000 C 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
5 7 1 6 0 0 0
3 8 2 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 2 1 0 0 0 0
7 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 7 1 0 0 0 0
13 31 1 0 0 0 0
17 18 1 0 0 0 0
9 19 1 0 0 0 0
10 20 1 0 0 0 0
12 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
24 33 1 0 0 0 0
25 34 1 0 0 0 0
30 35 1 0 0 0 0
30 36 2 0 0 0 0
20 37 1 0 0 0 0
S SKP 5
ID FL2FF8GS0001
FORMULA C24H26O13
EXACTMASS 522.137340918
AVERAGEMASS 522.45544
SMILES C(C2)(c(c(OC)3)c(OC(O4)C(O)C(O)C(C(C(O)=O)4)O)ccc3)Oc(c(C2=O)1)c(OC)c(cc1O)OC
M END
