Mol:FL1CHYNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5700 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5700 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5700 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5700 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0137 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0137 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4574 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4574 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4574 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4574 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0137 0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0137 0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9011 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9011 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3448 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3448 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2113 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2113 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7674 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7674 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3284 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3284 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8894 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8894 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8894 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8894 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3284 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3284 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7674 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7674 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9011 -1.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9011 -1.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2113 -1.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2113 -1.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4503 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4503 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4503 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4503 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4503 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4503 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0242 -1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0242 -1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5982 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5982 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0242 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0242 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1472 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1472 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7861 1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7861 1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0473 0.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0473 0.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0613 1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0613 1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7843 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7843 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3272 2.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3272 2.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5982 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5982 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0137 -1.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0137 -1.2804 0.0000 O 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 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 1 0 0 0 0 | + | 9 17 1 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 1 1 0 0 0 0 | + | 26 1 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNF0001 | + | ID FL1CHYNF0001 |
| − | KNApSAcK_ID C00007011 | + | KNApSAcK_ID C00007011 |
| − | NAME Glyinflanin F | + | NAME Glyinflanin F |
| − | CAS_RN 164123-52-8 | + | CAS_RN 164123-52-8 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES C(O)(c(c3)ccc(c3CC=C(C)C)O)=CC(=O)c(c2)c(cc(c21)OC(C(C)(C)O)C1)O | + | SMILES C(O)(c(c3)ccc(c3CC=C(C)C)O)=CC(=O)c(c2)c(cc(c21)OC(C(C)(C)O)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.5700 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5700 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4574 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4574 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3448 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2113 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7674 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3284 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8894 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8894 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3284 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7674 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -1.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2113 -1.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0242 -1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5982 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0242 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1472 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7861 1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0473 0.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0613 1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7843 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3272 2.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5982 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 -1.2804 0.0000 O 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 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 1 0 0 0 0
13 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 1 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
3 31 1 0 0 0 0
S SKP 8
ID FL1CHYNF0001
KNApSAcK_ID C00007011
NAME Glyinflanin F
CAS_RN 164123-52-8
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES C(O)(c(c3)ccc(c3CC=C(C)C)O)=CC(=O)c(c2)c(cc(c21)OC(C(C)(C)O)C1)O
M END
