Mol:FLIAECNS0004
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 |
| − | -1.9669 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9669 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8543 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8543 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2583 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2583 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2583 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2583 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8144 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8144 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0040 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0040 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0040 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0040 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5778 1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5778 1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9554 0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9554 0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5778 0.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5778 0.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8470 0.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8470 0.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1326 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1326 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8700 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8700 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7361 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7361 -1.4709 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 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 |
| − | 14 24 1 0 0 0 0 | + | 14 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 2.2409 -0.6772 | + | M SVB 2 27 2.2409 -0.6772 |
| − | 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 -1.847 0.0552 | + | M SVB 1 25 -1.847 0.0552 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAECNS0004 | + | ID FLIAECNS0004 |
| − | KNApSAcK_ID C00009477 | + | KNApSAcK_ID C00009477 |
| − | NAME Iriskumaonin;3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone | + | NAME Iriskumaonin;3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone |
| − | CAS_RN 69618-04-8 | + | CAS_RN 69618-04-8 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(O)c(OC)c2)C1=O | + | SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(O)c(OC)c2)C1=O |
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
-1.9669 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 0.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8470 0.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8700 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7361 -1.4709 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
13 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
14 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 2.2409 -0.6772
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 -1.847 0.0552
S SKP 8
ID FLIAECNS0004
KNApSAcK_ID C00009477
NAME Iriskumaonin;3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 69618-04-8
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(O)c(OC)c2)C1=O
M END
