Mol:FLIH3LNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.1507 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1507 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6964 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6964 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0759 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0759 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9097 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9097 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3639 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3639 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9844 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9844 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2892 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2892 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1230 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1230 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5772 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5772 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1977 -2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1977 -2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5027 -2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5027 -2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0171 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0171 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3537 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3537 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1760 -2.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1760 -2.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6616 -3.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6616 -3.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3250 -2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3250 -2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4110 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4110 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4360 -2.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4360 -2.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3285 -3.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 -3.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3498 -3.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3498 -3.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7231 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7231 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6225 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6225 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9881 0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9881 0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1930 -2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1930 -2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5205 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5205 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7617 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 0.0472 -1.0403 | + | M SVB 2 30 0.0472 -1.0403 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.1853 1.4528 | + | M SVB 1 28 -1.1853 1.4528 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIH3LNF0001 | + | ID FLIH3LNF0001 |
| − | KNApSAcK_ID C00009784 | + | KNApSAcK_ID C00009784 |
| − | NAME Neofolin | + | NAME Neofolin |
| − | CAS_RN 10338-02-0 | + | CAS_RN 10338-02-0 |
| − | FORMULA C20H14O7 | + | FORMULA C20H14O7 |
| − | EXACTMASS 366.073952802 | + | EXACTMASS 366.073952802 |
| − | AVERAGEMASS 366.32096 | + | AVERAGEMASS 366.32096 |
| − | SMILES COc(c2)c(C(C(=O)3)=Cc(c4)c(c(c(o5)c(cc5)4)OC)O3)cc(c12)OCO1 | + | SMILES COc(c2)c(C(C(=O)3)=Cc(c4)c(c(c(o5)c(cc5)4)OC)O3)cc(c12)OCO1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 31 0 0 0 0 0 0 0 0999 V2000
4.1507 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6964 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0759 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9097 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3639 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9844 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2892 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1230 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5772 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1977 -2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5027 -2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0171 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3537 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1760 -2.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6616 -3.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 -2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4110 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4360 -2.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3285 -3.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3498 -3.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7231 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6225 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9881 0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1930 -2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5205 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
9 17 2 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 0.0472 -1.0403
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.1853 1.4528
S SKP 8
ID FLIH3LNF0001
KNApSAcK_ID C00009784
NAME Neofolin
CAS_RN 10338-02-0
FORMULA C20H14O7
EXACTMASS 366.073952802
AVERAGEMASS 366.32096
SMILES COc(c2)c(C(C(=O)3)=Cc(c4)c(c(c(o5)c(cc5)4)OC)O3)cc(c12)OCO1
M END
