Mol:FL2F2CNS0002
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 |
| − | -1.6821 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6821 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1612 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1612 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6403 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6403 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6403 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6403 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1612 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1612 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6821 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6821 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1195 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1195 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4014 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4014 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4014 -0.2045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4014 -0.2045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1195 0.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1195 0.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9218 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9218 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1195 -1.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1195 -1.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4562 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4562 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9905 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9905 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9905 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9905 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4562 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4562 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9218 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9218 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3966 1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3966 1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1359 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1359 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5687 1.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5687 1.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0393 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0393 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5393 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5393 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3966 -0.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3966 -0.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3736 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3736 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 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 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 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 -2.3966 -0.6501 | + | M SVB 2 26 -2.3966 -0.6501 |
| − | 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 -2.0393 0.4142 | + | M SVB 1 24 -2.0393 0.4142 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F2CNS0002 | + | ID FL2F2CNS0002 |
| − | KNApSAcK_ID C00008398 | + | KNApSAcK_ID C00008398 |
| − | NAME 6,7-Dimethoxy-3',4'-methylenedioxyflavanone | + | NAME 6,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| − | CAS_RN 94392-48-0 | + | CAS_RN 94392-48-0 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)CC1=O | + | SMILES c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)CC1=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/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.6821 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1612 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6403 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6403 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1612 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6821 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1195 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -0.2045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1195 0.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1195 -1.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4562 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4562 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3966 1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1359 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5687 1.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0393 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5393 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3966 -0.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3736 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 16 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
1 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 -2.3966 -0.6501
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 -2.0393 0.4142
S SKP 8
ID FL2F2CNS0002
KNApSAcK_ID C00008398
NAME 6,7-Dimethoxy-3',4'-methylenedioxyflavanone
CAS_RN 94392-48-0
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)CC1=O
M END
