Mol:FLIAECNS0003
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 |
| − | -1.8834 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8834 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8834 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8834 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7708 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7708 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7708 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7708 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3418 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3418 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3418 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3418 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8979 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8979 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8979 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8979 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4927 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4927 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0875 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0875 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0875 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0875 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4927 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4927 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4395 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4395 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6355 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6355 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3185 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3185 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5979 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5979 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 -0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 -0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 -1.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 -1.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5979 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5979 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5898 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5898 0.7840 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 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 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -2.5979 0.6571 | + | M SVB 2 27 -2.5979 0.6571 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -1.7635 0.0839 | + | M SVB 1 25 -1.7635 0.0839 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAECNS0003 | + | ID FLIAECNS0003 |
| − | KNApSAcK_ID C00009476 | + | KNApSAcK_ID C00009476 |
| − | NAME Dipteryxine;Isoplatycarpanetin;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone | + | NAME Dipteryxine;Isoplatycarpanetin;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone |
| − | CAS_RN 68862-19-1 | + | CAS_RN 68862-19-1 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(c41)(OCO4)ccc(C(C3=O)=COc(c32)cc(c(c2OC)OC)O)c1 | + | SMILES c(c41)(OCO4)ccc(C(C3=O)=COc(c32)cc(c(c2OC)OC)O)c1 |
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
-1.8834 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4395 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6355 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3185 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5979 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -1.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5979 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5898 0.7840 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 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -2.5979 0.6571
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -1.7635 0.0839
S SKP 8
ID FLIAECNS0003
KNApSAcK_ID C00009476
NAME Dipteryxine;Isoplatycarpanetin;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone
CAS_RN 68862-19-1
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c41)(OCO4)ccc(C(C3=O)=COc(c32)cc(c(c2OC)OC)O)c1
M END
