Mol:FL63AAGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2477 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2477 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2477 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2477 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5332 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5332 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1812 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1812 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1812 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1812 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5332 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5332 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8957 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8957 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6101 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6101 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6101 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6101 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8957 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8957 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3246 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3246 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0449 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0449 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7654 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7654 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7654 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7654 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0449 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0449 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3246 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3246 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4549 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4549 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9621 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9621 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3246 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3246 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5332 -1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5332 -1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4549 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4549 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9597 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9597 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9480 -0.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9480 -0.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4293 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4293 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4111 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4111 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9597 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9597 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9480 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9480 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9597 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9597 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2452 0.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2452 0.3882 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 |
| − | 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 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 5 1 0 0 0 0 | + | 10 5 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 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 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 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 31 0.0000 -0.3507 | + | M SBV 1 31 0.0000 -0.3507 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63AAGS0007 | + | ID FL63AAGS0007 |
| − | FORMULA C20H22O9 | + | FORMULA C20H22O9 |
| − | EXACTMASS 406.126382302 | + | EXACTMASS 406.126382302 |
| − | AVERAGEMASS 406.38328 | + | AVERAGEMASS 406.38328 |
| − | SMILES C(O)C(C1O)(COC1Oc(c4)cc(c3c4O)OC(C(O)C3)c(c2)ccc(O)c2)O | + | SMILES C(O)C(C1O)(COC1Oc(c4)cc(c3c4O)OC(C(O)C3)c(c2)ccc(O)c2)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/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.2477 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2477 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5332 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1812 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1812 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5332 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8957 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8957 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3246 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0449 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7654 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7654 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0449 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3246 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4549 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9621 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3246 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5332 -1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4549 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9597 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9480 -0.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4293 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4111 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9597 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9480 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9597 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2452 0.3882 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
4 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 5 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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
22 26 1 0 0 0 0
23 27 1 0 0 0 0
24 18 1 0 0 0 0
22 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 CH2OH
M SBV 1 31 0.0000 -0.3507
S SKP 5
ID FL63AAGS0007
FORMULA C20H22O9
EXACTMASS 406.126382302
AVERAGEMASS 406.38328
SMILES C(O)C(C1O)(COC1Oc(c4)cc(c3c4O)OC(C(O)C3)c(c2)ccc(O)c2)O
M END
