Mol:FL1CHYNI0004
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2362 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2362 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2362 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2362 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6799 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6799 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1236 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1236 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1236 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1236 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6799 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6799 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5673 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5673 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0110 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0110 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5451 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5451 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1012 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1012 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6622 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6622 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2232 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2232 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2232 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2232 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6622 1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6622 1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1012 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1012 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5673 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5673 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5451 -0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5451 -0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7840 1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7840 1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7923 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7923 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7923 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7923 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3473 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3473 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3473 -1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3473 -1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9022 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9022 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7923 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7923 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5675 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5675 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7840 0.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7840 0.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7840 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7840 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3437 -0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3437 -0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3437 -1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3437 -1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9022 -0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9022 -0.4882 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 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 |
| − | 2 19 1 0 0 0 0 | + | 2 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 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 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 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 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 FL1CHYNI0004 | + | ID FL1CHYNI0004 |
| − | KNApSAcK_ID C00007007 | + | KNApSAcK_ID C00007007 |
| − | NAME Glyinflanin A | + | NAME Glyinflanin A |
| − | CAS_RN 142542-83-4 | + | CAS_RN 142542-83-4 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES C(C(c(c2O)cc(c(c2)O)CC=C(C)C)=O)=C(O)c(c1)ccc(c1CC=C(C)C)O | + | SMILES C(C(c(c2O)cc(c(c2)O)CC=C(C)C)=O)=C(O)c(c1)ccc(c1CC=C(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 31 0 0 0 0 0 0 0 0999 V2000
-2.2362 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2362 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6799 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6799 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5673 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0110 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5451 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1012 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6622 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2232 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2232 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6622 1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1012 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5673 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5451 -0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7840 1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7923 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7923 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3473 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3473 -1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9022 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7923 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5675 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7840 0.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7840 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3437 -0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3437 -1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9022 -0.4882 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 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
2 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
1 24 1 0 0 0 0
5 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1CHYNI0004
KNApSAcK_ID C00007007
NAME Glyinflanin A
CAS_RN 142542-83-4
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(C(c(c2O)cc(c(c2)O)CC=C(C)C)=O)=C(O)c(c1)ccc(c1CC=C(C)C)O
M END
