Mol:FL3FALNI0004
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9269 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9269 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9269 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9269 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3706 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3706 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1857 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1857 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1857 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1857 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3706 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3706 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7420 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7420 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2983 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2983 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2983 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2983 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7420 0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7420 0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7420 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7420 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8544 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8544 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4214 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4214 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9884 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9884 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9884 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9884 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4214 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4214 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8544 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8544 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4830 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4830 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5019 1.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5019 1.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6305 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6305 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5019 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5019 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9505 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9505 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9505 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9505 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2675 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2675 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3706 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3706 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4835 -1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4835 -1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2876 1.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2876 1.4814 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
| − | 24 22 1 0 0 0 0 | + | 24 22 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0004 | + | ID FL3FALNI0004 |
| − | KNApSAcK_ID C00004026 | + | KNApSAcK_ID C00004026 |
| − | NAME Oxidihydroartocarpesin | + | NAME Oxidihydroartocarpesin |
| − | CAS_RN 23806-62-4 | + | CAS_RN 23806-62-4 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES C(=O)(C=1)c(c3O)c(cc(c(C=CC(C)(C)O)3)O)OC(c(c2)c(O)cc(O)c2)1 | + | SMILES C(=O)(C=1)c(c3O)c(cc(c(C=CC(C)(C)O)3)O)OC(c(c2)c(O)cc(O)c2)1 |
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 29 0 0 0 0 0 0 0 0999 V2000
-0.9269 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9269 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1857 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1857 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7420 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2983 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2983 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7420 0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7420 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8544 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4214 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9884 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9884 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4214 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8544 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4830 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5019 1.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6305 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5019 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9505 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9505 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2675 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4835 -1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2876 1.4814 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
19 15 1 0 0 0 0
2 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
20 24 2 0 0 0 0
24 22 1 0 0 0 0
3 25 1 0 0 0 0
22 26 1 0 0 0 0
17 27 1 0 0 0 0
S SKP 8
ID FL3FALNI0004
KNApSAcK_ID C00004026
NAME Oxidihydroartocarpesin
CAS_RN 23806-62-4
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES C(=O)(C=1)c(c3O)c(cc(c(C=CC(C)(C)O)3)O)OC(c(c2)c(O)cc(O)c2)1
M END
