Mol:FL6FDDNS0001
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 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3931 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3931 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1076 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1076 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6786 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6786 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6786 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6786 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3931 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3931 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1076 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1076 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0359 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0359 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7503 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7503 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7503 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7503 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0359 0.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0359 0.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4709 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4709 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1854 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1854 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8999 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8999 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8999 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8999 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1854 1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1854 1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4709 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4709 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5075 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5075 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1854 2.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1854 2.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6125 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6125 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7773 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7773 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5075 -0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5075 -0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3931 -2.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3931 -2.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0664 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0664 -2.4804 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 |
| − | 1 3 2 0 0 0 0 | + | 1 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 2 2 0 0 0 0 | + | 6 2 2 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 |
| − | 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FDDNS0001 | + | ID FL6FDDNS0001 |
| − | KNApSAcK_ID C00013559 | + | KNApSAcK_ID C00013559 |
| − | NAME (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan;(S)-4-(3,4-Dihydro-5,7-dimethoxy-2H-1-benzopyran-2-yl)-2-methoxyphenol | + | NAME (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan;(S)-4-(3,4-Dihydro-5,7-dimethoxy-2H-1-benzopyran-2-yl)-2-methoxyphenol |
| − | CAS_RN 185146-55-8 | + | CAS_RN 185146-55-8 |
| − | FORMULA C18H20O5 | + | FORMULA C18H20O5 |
| − | EXACTMASS 316.13107375 | + | EXACTMASS 316.13107375 |
| − | AVERAGEMASS 316.3484 | + | AVERAGEMASS 316.3484 |
| − | SMILES c(c12)(OC)cc(OC)cc1OC(c(c3)cc(OC)c(O)c3)CC2 | + | SMILES c(c12)(OC)cc(OC)cc1OC(c(c3)cc(OC)c(O)c3)CC2 |
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 25 0 0 0 0 0 0 0 0999 V2000
-1.3931 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1076 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6786 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6786 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3931 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1076 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 0.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1854 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8999 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8999 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1854 1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5075 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1854 2.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6125 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7773 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5075 -0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3931 -2.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0664 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 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 2 2 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
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
14 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
S SKP 8
ID FL6FDDNS0001
KNApSAcK_ID C00013559
NAME (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan;(S)-4-(3,4-Dihydro-5,7-dimethoxy-2H-1-benzopyran-2-yl)-2-methoxyphenol
CAS_RN 185146-55-8
FORMULA C18H20O5
EXACTMASS 316.13107375
AVERAGEMASS 316.3484
SMILES c(c12)(OC)cc(OC)cc1OC(c(c3)cc(OC)c(O)c3)CC2
M END
