Mol:FL2FA8NS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6577 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6577 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1368 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1368 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6159 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6159 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6159 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6159 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1368 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1368 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6577 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6577 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4258 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4258 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4258 0.1001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4258 0.1001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9462 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9462 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4806 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4806 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0149 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0149 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0149 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0149 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4806 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4806 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9462 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9462 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1368 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1368 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4127 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4127 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4806 -0.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4806 -0.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0149 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0149 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5149 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5149 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.0149 0.7188 | + | M SVB 1 23 -2.0149 0.7188 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NS0004 | + | ID FL2FA8NS0004 |
| − | KNApSAcK_ID C00008412 | + | KNApSAcK_ID C00008412 |
| − | NAME Scutamoenin | + | NAME Scutamoenin |
| − | CAS_RN 129138-49-4 | + | CAS_RN 129138-49-4 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c(O)2)c(O)ccc2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c(O)2)c(O)ccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.6577 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6577 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 0.1001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0950 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9462 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0149 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0149 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9462 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4127 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 -0.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5149 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
17 19 1 0 0 0 0
13 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.0149 0.7188
S SKP 8
ID FL2FA8NS0004
KNApSAcK_ID C00008412
NAME Scutamoenin
CAS_RN 129138-49-4
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c(O)2)c(O)ccc2
M END
