Mol:FLIC1LNP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9243 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9243 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9243 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9243 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4585 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4585 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9928 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9928 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9928 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9928 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4585 1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4585 1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5270 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5270 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0612 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0612 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0612 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0612 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5270 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5270 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4046 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4046 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8704 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8704 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4046 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4046 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8704 -0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8704 -0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3361 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3361 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3361 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3361 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3371 1.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3371 1.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0610 -0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0610 -0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8704 -1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8704 -1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3361 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3361 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8019 -1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8019 -1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8019 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8019 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1429 -1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1429 -1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3371 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3371 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0612 0.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0612 0.0562 0.0000 H 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 |
| − | 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 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 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 21 23 1 1 0 0 0 | + | 21 23 1 1 0 0 0 |
| − | 21 24 1 6 0 0 0 | + | 21 24 1 6 0 0 0 |
| − | 8 25 1 6 0 0 0 | + | 8 25 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNP0003 | + | ID FLIC1LNP0003 |
| − | KNApSAcK_ID C00002560 | + | KNApSAcK_ID C00002560 |
| − | NAME (-)-Phaseollinisoflavan | + | NAME (-)-Phaseollinisoflavan |
| − | CAS_RN 40323-57-7 | + | CAS_RN 40323-57-7 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES C(C1)(c(c4O)ccc(c34)OC(C=C3)(C)C)([H])Cc(c2)c(cc(O)c2)O1 | + | SMILES C(C1)(c(c4O)ccc(c34)OC(C=C3)(C)C)([H])Cc(c2)c(cc(O)c2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.9243 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9928 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9928 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5270 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5270 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4046 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8704 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4046 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8704 -0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3361 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3361 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3371 1.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0610 -0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8704 -1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3361 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8019 -1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8019 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 -1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 0.0562 0.0000 H 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
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 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 12 1 0 0 0 0
17 1 1 0 0 0 0
13 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 15 1 0 0 0 0
21 23 1 1 0 0 0
21 24 1 6 0 0 0
8 25 1 6 0 0 0
S SKP 8
ID FLIC1LNP0003
KNApSAcK_ID C00002560
NAME (-)-Phaseollinisoflavan
CAS_RN 40323-57-7
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES C(C1)(c(c4O)ccc(c34)OC(C=C3)(C)C)([H])Cc(c2)c(cc(O)c2)O1
M END
