Mol:FL5FEANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0463 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0463 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0463 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0463 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5458 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5458 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0454 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0454 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0454 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0454 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5458 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5458 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5449 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5449 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0445 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0445 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0445 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0445 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5449 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5449 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4557 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4557 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9860 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9860 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5164 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5164 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5164 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5164 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9860 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9860 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4557 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4557 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5449 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5449 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5464 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5464 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5458 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5458 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7607 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7607 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7460 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7460 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0463 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0463 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7607 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7607 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8215 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8215 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6875 -1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6875 -1.4595 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.0984 -0.6656 | + | M SVB 3 26 0.0984 -0.6656 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 2.0463 1.3256 | + | M SVB 2 24 2.0463 1.3256 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.7607 -0.3356 | + | M SVB 1 22 -2.7607 -0.3356 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEANS0002 | + | ID FL5FEANS0002 |
| − | KNApSAcK_ID C00001096 | + | KNApSAcK_ID C00001096 |
| − | NAME Santin | + | NAME Santin |
| − | CAS_RN 27782-63-4 | + | CAS_RN 27782-63-4 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)ccc(OC)c2)OC)=O | + | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)ccc(OC)c2)OC)=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/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0463 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0463 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0445 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0445 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4557 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5164 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5164 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4557 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5464 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7607 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7460 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0463 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8215 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6875 -1.4595 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
9 11 1 0 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.0984 -0.6656
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.0463 1.3256
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.7607 -0.3356
S SKP 8
ID FL5FEANS0002
KNApSAcK_ID C00001096
NAME Santin
CAS_RN 27782-63-4
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)ccc(OC)c2)OC)=O
M END
