Mol:FL6F1LNM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1833 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1833 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0707 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0707 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1650 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7319 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7319 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1650 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7394 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7394 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3546 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3546 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7394 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7394 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3546 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3546 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0312 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0312 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 -1.4544 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1LNM0002 | + | ID FL6F1LNM0002 |
| − | KNApSAcK_ID C00008776 | + | KNApSAcK_ID C00008776 |
| − | NAME 7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan | + | NAME 7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan |
| − | CAS_RN 75679-60-6 | + | CAS_RN 75679-60-6 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES O(C(c(c(O)4)cc(c3c4)OCO3)2)c(c(C)1)c(CC2)c(C)cc1O | + | SMILES O(C(c(c(O)4)cc(c3c4)OCO3)2)c(c(C)1)c(CC2)c(C)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.1833 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1833 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7394 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0312 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -1.4544 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
16 21 1 0 0 0 0
6 22 1 0 0 0 0
3 23 1 0 0 0 0
S SKP 8
ID FL6F1LNM0002
KNApSAcK_ID C00008776
NAME 7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan
CAS_RN 75679-60-6
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES O(C(c(c(O)4)cc(c3c4)OCO3)2)c(c(C)1)c(CC2)c(C)cc1O
M END
