Mol:FL6FALNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 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 3 0 0 0 0 0 0 0 0 0 | + | 0.0419 0.1513 0.0000 C 0 0 3 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 |
| − | 2.3546 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 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7394 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7394 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5405 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5405 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0405 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0405 1.6360 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.5405 0.77 | + | M SVB 1 27 -2.5405 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FALNM0001 | + | ID FL6FALNM0001 |
| − | KNApSAcK_ID C00008777 | + | KNApSAcK_ID C00008777 |
| − | NAME 5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan | + | NAME 5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan |
| − | CAS_RN 75679-61-7 | + | CAS_RN 75679-61-7 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES c(c(C(O3)CCc(c4O)c3c(c(c4C)OC)C)2)(O)cc(c1c2)OCO1 | + | SMILES c(c(C(O3)CCc(c4O)c3c(c(c4C)OC)C)2)(O)cc(c1c2)OCO1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 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 3 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
2.3546 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 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7394 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5405 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0405 1.6360 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 0 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
13 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
3 22 1 0 0 0 0
2 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.5405 0.77
S SKP 8
ID FL6FALNM0001
KNApSAcK_ID C00008777
NAME 5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan
CAS_RN 75679-61-7
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c(C(O3)CCc(c4O)c3c(c(c4C)OC)C)2)(O)cc(c1c2)OCO1
M END
