Mol:FLIAECNS0013
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 |
| − | -2.1455 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1455 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5892 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0329 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0329 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5892 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0797 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0797 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0797 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0797 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6358 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6358 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6358 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6358 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2306 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2306 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8253 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8253 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8253 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8253 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2306 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2306 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7564 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7564 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1340 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1340 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7564 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7564 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4196 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4196 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4196 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4196 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1340 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1340 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0256 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0256 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3112 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3112 -0.7004 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 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 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 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 SBV 1 25 -6.6210 4.5618 | + | M SBV 1 25 -6.6210 4.5618 |
| − | 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 SBV 2 27 -7.6516 4.0582 | + | M SBV 2 27 -7.6516 4.0582 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAECNS0013 | + | ID FLIAECNS0013 |
| − | KNApSAcK_ID C00009862 | + | KNApSAcK_ID C00009862 |
| − | NAME Iriskashmirianin;4'-Hydroxy-5,3'-dimethoxy-6,7-methylenedioxyisoflavone | + | NAME Iriskashmirianin;4'-Hydroxy-5,3'-dimethoxy-6,7-methylenedioxyisoflavone |
| − | CAS_RN 128700-90-3 | + | CAS_RN 128700-90-3 |
| − | 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(OC)c(O)c2)C1=O | + | SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(OC)c(O)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
-2.1455 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1455 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2306 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2306 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7564 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1340 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7564 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0256 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3112 -0.7004 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 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 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
1 2 1 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
7 20 2 0 0 0 0
14 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
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 SBV 1 25 -6.6210 4.5618
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 SBV 2 27 -7.6516 4.0582
S SKP 8
ID FLIAECNS0013
KNApSAcK_ID C00009862
NAME Iriskashmirianin;4'-Hydroxy-5,3'-dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 128700-90-3
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(OC)c(O)c2)C1=O
M END
