Mol:FL4DE8NS0001
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7630 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7630 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0504 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0504 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7598 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7598 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0430 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0430 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3304 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3304 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3341 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3341 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3859 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3859 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0985 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0985 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0949 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0949 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3786 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3786 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7486 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7486 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4647 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4647 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1776 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1776 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1744 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1744 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4583 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4583 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7455 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7455 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3870 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3870 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0430 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0430 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3808 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3808 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6763 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6763 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4583 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4583 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4647 -0.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4647 -0.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4397 -1.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4397 -1.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1776 -0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1776 -0.9707 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DE8NS0001 | + | ID FL4DE8NS0001 |
| − | KNApSAcK_ID C00014370 | + | KNApSAcK_ID C00014370 |
| − | NAME Diosalol;(2R,3R)-3,5,7,2',5'-Pentahydroxy-6-methoxyflavanone | + | NAME Diosalol;(2R,3R)-3,5,7,2',5'-Pentahydroxy-6-methoxyflavanone |
| − | CAS_RN 253786-85-5 | + | CAS_RN 253786-85-5 |
| − | FORMULA C16H14O8 | + | FORMULA C16H14O8 |
| − | EXACTMASS 334.068867424 | + | EXACTMASS 334.068867424 |
| − | AVERAGEMASS 334.27756 | + | AVERAGEMASS 334.27756 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C(O)2)c(c1)c(O)ccc(O)1 | + | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C(O)2)c(c1)c(O)ccc(O)1 |
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 26 0 0 0 0 0 0 0 0999 V2000
-1.7630 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0504 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7598 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0430 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3304 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3859 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0985 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0949 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3786 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7486 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4647 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1776 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1744 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4583 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0430 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3808 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6763 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4583 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4647 -0.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4397 -1.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1776 -0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
7 17 2 0 0 0 0
4 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 1 0 0 0
15 21 1 0 0 0 0
12 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 8
ID FL4DE8NS0001
KNApSAcK_ID C00014370
NAME Diosalol;(2R,3R)-3,5,7,2',5'-Pentahydroxy-6-methoxyflavanone
CAS_RN 253786-85-5
FORMULA C16H14O8
EXACTMASS 334.068867424
AVERAGEMASS 334.27756
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C(O)2)c(c1)c(O)ccc(O)1
M END
