Mol:FL2F1LNS0001
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 |
| − | -2.0957 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0957 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5749 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5749 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0540 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0540 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0540 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0540 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5749 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5749 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0957 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0957 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5331 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5331 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0122 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0122 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0122 0.0893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.0122 0.0893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.5331 0.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5331 0.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5082 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5082 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5331 -1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5331 -1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0425 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0425 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5769 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5769 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5769 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5769 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0425 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0425 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5082 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5082 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1371 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1371 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4530 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4530 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0880 1.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0880 1.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6129 1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6129 1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2121 1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2121 1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4530 0.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4530 0.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9530 1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9530 1.5741 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 14 18 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 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 -2.453 0.7081 | + | M SVB 2 26 -2.453 0.7081 |
| − | 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 0.6129 1.3368 | + | M SVB 1 24 0.6129 1.3368 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1LNS0001 | + | ID FL2F1LNS0001 |
| − | KNApSAcK_ID C00008395 | + | KNApSAcK_ID C00008395 |
| − | NAME 7,2'-Dimethoxy-4',5'-methylenedioxyflavanone | + | NAME 7,2'-Dimethoxy-4',5'-methylenedioxyflavanone |
| − | CAS_RN 103197-37-1 | + | CAS_RN 103197-37-1 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c34)c(c(OC)cc3OCO4)[C@H](C2)Oc(c(C(=O)2)1)cc(OC)cc1 | + | SMILES c(c34)c(c(OC)cc3OCO4)[C@H](C2)Oc(c(C(=O)2)1)cc(OC)cc1 |
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
-2.0957 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5749 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0540 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0540 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5749 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0957 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0122 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0122 0.0893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5331 0.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5082 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 -1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0425 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5769 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5769 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0425 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5082 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1371 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4530 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0880 1.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6129 1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2121 1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4530 0.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9530 1.5741 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 6 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
6 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 -2.453 0.7081
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 0.6129 1.3368
S SKP 8
ID FL2F1LNS0001
KNApSAcK_ID C00008395
NAME 7,2'-Dimethoxy-4',5'-methylenedioxyflavanone
CAS_RN 103197-37-1
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c34)c(c(OC)cc3OCO4)[C@H](C2)Oc(c(C(=O)2)1)cc(OC)cc1
M END
