Mol:FLIAEGNS0004
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 |
| − | -1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2583 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2583 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2583 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2583 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5778 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5778 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5982 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5982 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9918 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9918 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7063 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7063 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8700 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8700 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7361 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7361 -1.5220 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 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 2.2409 -0.7282 | + | M SVB 2 28 2.2409 -0.7282 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 0.9918 -1.0369 | + | M SVB 1 26 0.9918 -1.0369 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEGNS0004 | + | ID FLIAEGNS0004 |
| − | KNApSAcK_ID C00009829 | + | KNApSAcK_ID C00009829 |
| − | NAME 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone | + | NAME 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone |
| − | CAS_RN 88509-91-5 | + | CAS_RN 88509-91-5 |
| − | FORMULA C18H14O8 | + | FORMULA C18H14O8 |
| − | EXACTMASS 358.068867424 | + | EXACTMASS 358.068867424 |
| − | AVERAGEMASS 358.29896 | + | AVERAGEMASS 358.29896 |
| − | SMILES c(c34)c(c1c(c3OCO4)O)OC=C(c(c2)cc(c(OC)c(O)2)OC)C1=O | + | SMILES c(c34)c(c1c(c3OCO4)O)OC=C(c(c2)cc(c(OC)c(O)2)OC)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/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5982 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8700 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7361 -1.5220 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
3 20 1 0 0 0 0
7 21 2 0 0 0 0
15 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 2.2409 -0.7282
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 0.9918 -1.0369
S SKP 8
ID FLIAEGNS0004
KNApSAcK_ID C00009829
NAME 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 88509-91-5
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(c34)c(c1c(c3OCO4)O)OC=C(c(c2)cc(c(OC)c(O)2)OC)C1=O
M END
