Mol:FL3F99NS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8158 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8158 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2595 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2595 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7032 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7032 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7032 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7032 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2595 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2595 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1469 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1469 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4094 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4094 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4094 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4094 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1469 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1469 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1469 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1469 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9655 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9655 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5324 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5324 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0994 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0994 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0994 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0994 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5324 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5324 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9655 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9655 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8158 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8158 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5303 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5303 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5303 -0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5303 -0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8158 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -1.1708 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 20 -3.9827 3.0500 | + | M SBV 1 20 -3.9827 3.0500 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 22 -4.9806 2.5653 | + | M SBV 2 22 -4.9806 2.5653 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F99NS0007 | + | ID FL3F99NS0007 |
| − | KNApSAcK_ID C00003798 | + | KNApSAcK_ID C00003798 |
| − | NAME 6,3'-Dimethoxyflavone | + | NAME 6,3'-Dimethoxyflavone |
| − | CAS_RN 71592-46-6 | + | CAS_RN 71592-46-6 |
| − | FORMULA C17H14O4 | + | FORMULA C17H14O4 |
| − | EXACTMASS 282.089208936 | + | EXACTMASS 282.089208936 |
| − | AVERAGEMASS 282.29066 | + | AVERAGEMASS 282.29066 |
| − | SMILES COc(c3)cc(cc3)C(=C1)Oc(c2)c(cc(OC)c2)C(=O)1 | + | SMILES COc(c3)cc(cc3)C(=C1)Oc(c2)c(cc(OC)c2)C(=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.8158 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5303 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5303 -0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -1.1708 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -3.9827 3.0500
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 ^OCH3
M SBV 2 22 -4.9806 2.5653
S SKP 8
ID FL3F99NS0007
KNApSAcK_ID C00003798
NAME 6,3'-Dimethoxyflavone
CAS_RN 71592-46-6
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c3)cc(cc3)C(=C1)Oc(c2)c(cc(OC)c2)C(=O)1
M END
