Mol:FL5FECGS0005
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 |
| − | -3.4232 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4232 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4232 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4232 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7220 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7220 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0208 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0208 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0208 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0208 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7220 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7220 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3196 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3196 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6184 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6184 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6184 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6184 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3196 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3196 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3196 -2.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3196 -2.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0826 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0826 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7973 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7973 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5120 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5120 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5120 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5120 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7973 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7973 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0826 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0826 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1242 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1242 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1987 -1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1987 -1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5164 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5164 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0277 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0277 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9674 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9674 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9128 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9128 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4015 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4015 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4618 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4618 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7869 -1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7869 -1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8020 -0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8020 -0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1242 -1.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1242 -1.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2265 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2265 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7220 -2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7220 -2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7973 2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7973 2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0749 -1.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0749 -1.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1743 -1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1743 -1.8501 0.0000 C 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 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 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 36 0.6516 0.2987 | + | M SBV 1 36 0.6516 0.2987 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGS0005 | + | ID FL5FECGS0005 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES COc(c1O)c(O)cc(O2)c1C(C(OC(O4)C(O)C(C(O)C4)O)=C2c(c3)cc(c(O)c3)O)=O | + | SMILES COc(c1O)c(O)cc(O2)c1C(C(OC(O4)C(O)C(C(O)C4)O)=C2c(c3)cc(c(O)c3)O)=O |
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
-3.4232 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4232 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7220 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0208 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0208 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7220 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3196 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6184 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6184 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3196 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3196 -2.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0826 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7973 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5120 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5120 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7973 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0826 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1242 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1987 -1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5164 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0277 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9674 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9128 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4015 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4618 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7869 -1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 -0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1242 -1.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2265 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7220 -2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7973 2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0749 -1.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1743 -1.8501 0.0000 C 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 1 0 0 0 0
2 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 ^OCH3
M SBV 1 36 0.6516 0.2987
S SKP 5
ID FL5FECGS0005
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES COc(c1O)c(O)cc(O2)c1C(C(OC(O4)C(O)C(C(O)C4)O)=C2c(c3)cc(c(O)c3)O)=O
M END
