Mol:FLIAE9NS0001
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 |
| − | -1.7883 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7883 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7883 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7883 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2320 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2320 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6757 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6757 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6757 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6757 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2320 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2320 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1194 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1194 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4369 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4369 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1194 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1194 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9930 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9930 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9930 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9930 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1826 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1826 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1826 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1826 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3992 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3992 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7768 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7768 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3992 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3992 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1194 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1194 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7768 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7768 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1704 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1704 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8849 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8849 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6684 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6684 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9539 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9539 -0.4083 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 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 -7.2753 4.3392 | + | M SBV 1 25 -7.2753 4.3392 |
| − | 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 -7.2943 4.3502 | + | M SBV 2 27 -7.2943 4.3502 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAE9NS0001 | + | ID FLIAE9NS0001 |
| − | KNApSAcK_ID C00009863 | + | KNApSAcK_ID C00009863 |
| − | NAME Isoiriskashmirianin;3'-Hydroxy-5,5'-dimethoxy-6,7-methylenedioxyisoflavone | + | NAME Isoiriskashmirianin;3'-Hydroxy-5,5'-dimethoxy-6,7-methylenedioxyisoflavone |
| − | CAS_RN 128700-91-4 | + | CAS_RN 128700-91-4 |
| − | 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)cc(O)2)C1=O | + | SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(OC)cc(O)2)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
-1.7883 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7768 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7768 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1704 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6684 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 -0.4083 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
15 21 1 0 0 0 0
13 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 -7.2753 4.3392
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 -7.2943 4.3502
S SKP 8
ID FLIAE9NS0001
KNApSAcK_ID C00009863
NAME Isoiriskashmirianin;3'-Hydroxy-5,5'-dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 128700-91-4
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(OC)cc(O)2)C1=O
M END
