Mol:FL3FAGGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1713 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1713 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1713 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1713 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5298 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5298 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2307 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2307 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2307 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2307 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5298 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5298 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9319 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9319 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6331 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6331 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6331 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6331 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9319 0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9319 0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9319 -2.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9319 -2.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3339 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3339 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0483 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0483 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7628 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7628 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7628 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7628 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0483 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0483 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3339 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3339 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5298 -2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5298 -2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8751 0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8751 0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0483 2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0483 2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7537 0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7537 0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9523 -0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9523 -0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7983 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7983 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6849 -0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6849 -0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4940 0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4940 0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6727 0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6727 0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4772 -0.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4772 -0.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8190 -0.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8190 -0.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8307 -0.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8307 -0.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4772 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4772 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4772 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4772 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2690 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2690 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1585 0.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1585 0.1290 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 36 0.5963 -0.5962 | + | M SBV 1 36 0.5963 -0.5962 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAGGS0001 | + | ID FL3FAGGS0001 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)(c1)cc(O)c(O)c(O)1 | + | SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)(c1)cc(O)c(O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.1713 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1713 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5298 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2307 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2307 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5298 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9319 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6331 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6331 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9319 0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9319 -2.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3339 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0483 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0483 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3339 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5298 -2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8751 0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0483 2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7537 0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9523 -0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7983 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6849 -0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4940 0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6727 0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4772 -0.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8190 -0.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8307 -0.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4772 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4772 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2690 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1585 0.1290 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
16 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
15 30 1 0 0 0 0
14 31 1 0 0 0 0
32 33 1 0 0 0 0
26 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 ^CH2OH
M SBV 1 36 0.5963 -0.5962
S SKP 5
ID FL3FAGGS0001
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)(c1)cc(O)c(O)c(O)1
M END
