Mol:FL5FCCGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8059 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8059 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8060 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8060 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1048 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1048 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4039 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4039 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4038 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4038 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1048 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1048 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7027 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7027 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0017 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0017 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0017 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0017 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7027 0.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7027 0.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7026 -1.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7026 -1.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6991 0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6991 0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4137 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4137 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1281 0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1281 0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1281 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1281 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4136 1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4136 1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6991 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6991 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8150 -1.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8150 -1.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1807 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1807 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3347 -1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3347 -1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2824 -1.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2824 -1.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9667 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9667 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8130 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8130 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8650 -1.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8650 -1.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4927 -1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4927 -1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3502 -1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3502 -1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8863 -1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8863 -1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8424 1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8424 1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1048 -1.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1048 -1.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4137 2.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4137 2.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2562 1.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2562 1.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8863 2.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8863 2.0974 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 35 0.4503 -0.7797 | + | M SBV 1 35 0.4503 -0.7797 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCCGS0002 | + | ID FL5FCCGS0002 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(OC)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(OC)3)O)c(c1)cc(c(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.8059 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8060 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1048 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4039 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4038 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1048 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 -0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 0.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7026 -1.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6991 0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4137 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1281 0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1281 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4136 1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6991 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8150 -1.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1807 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3347 -1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2824 -1.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9667 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8650 -1.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 -1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3502 -1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8863 -1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8424 1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1048 -1.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4137 2.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2562 1.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8863 2.0974 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
21 22 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
16 30 1 0 0 0 0
31 32 1 0 0 0 0
1 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 ^ OCH3
M SBV 1 35 0.4503 -0.7797
S SKP 5
ID FL5FCCGS0002
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(OC)3)O)c(c1)cc(c(O)c1)O
M END
