Mol:FLIDBANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2252 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2252 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0059 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0059 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3297 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3297 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6152 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6152 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 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 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 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 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 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -6.0275 4.8390 | + | M SBV 1 28 -6.0275 4.8390 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBANI0002 | + | ID FLIDBANI0002 |
| − | KNApSAcK_ID C00009655 | + | KNApSAcK_ID C00009655 |
| − | NAME Edudiol;3,9-Dihydroxy-1-methoxy-2-prenylpterocarpan | + | NAME Edudiol;3,9-Dihydroxy-1-methoxy-2-prenylpterocarpan |
| − | CAS_RN 63343-94-2 | + | CAS_RN 63343-94-2 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES O(C)c(c(CC=C(C)C)1)c(C24)c(OCC2c(c3)c(O4)cc(O)c3)cc1O | + | SMILES O(C)c(c(CC=C(C)C)1)c(C24)c(OCC2c(c3)c(O4)cc(O)c3)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0059 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3297 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6152 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 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 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 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 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
14 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -6.0275 4.8390
S SKP 8
ID FLIDBANI0002
KNApSAcK_ID C00009655
NAME Edudiol;3,9-Dihydroxy-1-methoxy-2-prenylpterocarpan
CAS_RN 63343-94-2
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES O(C)c(c(CC=C(C)C)1)c(C24)c(OCC2c(c3)c(O4)cc(O)c3)cc1O
M END
