Mol:FL1CHYNP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2343 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2343 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2343 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2343 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6780 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6780 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1217 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1217 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1217 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1217 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6780 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6780 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5654 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5654 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0091 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0091 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5470 -0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5470 -0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1031 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1031 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6641 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6641 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2251 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2251 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2251 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2251 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6641 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6641 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1031 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1031 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5654 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5654 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5470 -1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5470 -1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7860 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7860 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7860 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7860 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7906 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7906 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3469 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3469 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3469 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3469 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7906 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7906 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6978 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6978 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9270 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9270 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3223 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3223 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3223 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3223 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7079 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7079 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9270 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9270 0.2990 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 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 19 27 2 0 0 0 0 | + | 19 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0005 | + | ID FL1CHYNP0005 |
| − | KNApSAcK_ID C00007009 | + | KNApSAcK_ID C00007009 |
| − | NAME Glyinflanin D | + | NAME Glyinflanin D |
| − | CAS_RN 142750-25-2 | + | CAS_RN 142750-25-2 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES C(=C4)c(c3OC4(C)C)cc(c(c3)O)C(CC(=O)c(c2)cc(C=1)c(c2)OC(C1)(C)C)=O | + | SMILES C(=C4)c(c3OC4(C)C)cc(c(c3)O)C(CC(=O)c(c2)cc(C=1)c(c2)OC(C1)(C)C)=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/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.2343 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2343 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6780 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1217 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1217 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6780 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0091 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1031 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2251 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2251 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1031 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7906 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3469 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3469 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7906 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6978 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9270 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3223 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3223 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7079 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9270 0.2990 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 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 2 0 0 0 0
13 18 1 0 0 0 0
12 19 1 0 0 0 0
1 20 1 0 0 0 0
20 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
21 24 1 0 0 0 0
21 25 1 0 0 0 0
15 26 1 0 0 0 0
19 27 2 0 0 0 0
27 28 1 0 0 0 0
28 18 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1CHYNP0005
KNApSAcK_ID C00007009
NAME Glyinflanin D
CAS_RN 142750-25-2
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES C(=C4)c(c3OC4(C)C)cc(c(c3)O)C(CC(=O)c(c2)cc(C=1)c(c2)OC(C1)(C)C)=O
M END
