Mol:FL5FEAGS0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8771 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8771 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8771 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8771 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1626 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1626 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4482 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4482 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4482 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4482 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1626 1.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1626 1.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2663 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2663 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9808 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9808 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9808 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9808 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2663 1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2663 1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2663 -0.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2663 -0.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6950 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6950 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4232 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4232 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1514 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1514 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1514 2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1514 2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4232 3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4232 3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6950 2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6950 2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8793 3.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8793 3.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1626 -0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1626 -0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8548 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8548 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3187 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3187 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4268 -2.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4268 -2.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5294 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5294 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0654 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0654 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9575 -1.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9575 -1.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0739 -2.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0739 -2.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8793 -2.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8793 -2.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7886 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7886 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5280 -3.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5280 -3.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6357 0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6357 0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6315 0.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6315 0.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5967 1.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5967 1.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2388 2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2388 2.8792 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 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 0.7587 0.4380 | + | M SBV 1 35 0.7587 0.4380 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 37 0.7197 -0.4155 | + | M SBV 2 37 0.7197 -0.4155 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FEAGS0014 | + | ID FL5FEAGS0014 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES c(c4)(ccc(c4)C(O3)=C(O)C(c(c31)c(OC(O2)C(O)C(C(O)C(C)2)O)c(OC)c(OC)c1)=O)O | + | SMILES c(c4)(ccc(c4)C(O3)=C(O)C(c(c31)c(OC(O2)C(O)C(C(O)C(C)2)O)c(OC)c(OC)c1)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.8771 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8771 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4482 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4482 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 1.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2663 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9808 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9808 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2663 1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2663 -0.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4232 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1514 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1514 2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4232 3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8793 3.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 -0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8548 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3187 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 -2.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5294 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0654 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9575 -1.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0739 -2.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8793 -2.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7886 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5280 -3.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6357 0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6315 0.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5967 1.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2388 2.8792 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
8 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
24 30 1 0 0 0 0
20 25 1 0 0 0 0
31 32 1 0 0 0 0
2 31 1 0 0 0 0
33 34 1 0 0 0 0
1 33 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 0.7587 0.4380
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 ^ OCH3
M SBV 2 37 0.7197 -0.4155
S SKP 5
ID FL5FEAGS0014
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(c4)(ccc(c4)C(O3)=C(O)C(c(c31)c(OC(O2)C(O)C(C(O)C(C)2)O)c(OC)c(OC)c1)=O)O
M END
