Mol:FLIA3CNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4011 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4011 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4011 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4011 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8448 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8448 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2885 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2885 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2885 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2885 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8448 0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8448 0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7322 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7322 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1759 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1759 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1759 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1759 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7322 0.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7322 0.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3802 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3802 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3802 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3802 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9750 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9750 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5698 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5698 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5698 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5698 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9750 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9750 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7263 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7263 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9783 1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9783 1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6172 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6172 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8785 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8785 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4358 -1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4358 -1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3019 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3019 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1640 0.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1640 0.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8785 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8785 -0.4067 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 2.164 0.0058 | + | M SVB 2 26 2.164 0.0058 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 1.8073 -1.2303 | + | M SVB 1 24 1.8073 -1.2303 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA3CNS0005 | + | ID FLIA3CNS0005 |
| − | KNApSAcK_ID C00009823 | + | KNApSAcK_ID C00009823 |
| − | NAME Maximaisoflavone D;7,8-Methylenedioxy-3',4'-dimethoxyisoflavone | + | NAME Maximaisoflavone D;7,8-Methylenedioxy-3',4'-dimethoxyisoflavone |
| − | CAS_RN 94413-08-8 | + | CAS_RN 94413-08-8 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES c(c14)(OCO4)ccc(C2=O)c1OC=C(c(c3)cc(OC)c(OC)c3)2 | + | SMILES c(c14)(OCO4)ccc(C2=O)c1OC=C(c(c3)cc(OC)c(OC)c3)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.4011 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4011 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8448 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2885 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2885 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8448 0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7322 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1759 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1759 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7322 0.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3802 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3802 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9750 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5698 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5698 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9750 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7263 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9783 1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6172 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8785 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4358 -1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3019 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1640 0.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8785 -0.4067 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
7 17 2 0 0 0 0
1 2 1 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 2.164 0.0058
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 1.8073 -1.2303
S SKP 8
ID FLIA3CNS0005
KNApSAcK_ID C00009823
NAME Maximaisoflavone D;7,8-Methylenedioxy-3',4'-dimethoxyisoflavone
CAS_RN 94413-08-8
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c14)(OCO4)ccc(C2=O)c1OC=C(c(c3)cc(OC)c(OC)c3)2
M END
