Mol:FL63GCNS0001
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 |
| − | -0.9916 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9916 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9916 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9916 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4206 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4206 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4206 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4206 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2772 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2772 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4373 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4373 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4373 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4373 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2772 0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2772 0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1518 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1518 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8242 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8242 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4966 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4966 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4966 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4966 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8242 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8242 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1518 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1518 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1351 0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1351 0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8242 2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8242 2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2289 -1.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2289 -1.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1351 1.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1351 1.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 0.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 0.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9769 -1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9769 -1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 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 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63GCNS0001 | + | ID FL63GCNS0001 |
| − | KNApSAcK_ID C00013250 | + | KNApSAcK_ID C00013250 |
| − | NAME Elephantorrhizol;(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol | + | NAME Elephantorrhizol;(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol |
| − | CAS_RN 848154-70-1 | + | CAS_RN 848154-70-1 |
| − | FORMULA C15H14O8 | + | FORMULA C15H14O8 |
| − | EXACTMASS 322.068867424 | + | EXACTMASS 322.068867424 |
| − | AVERAGEMASS 322.26686 | + | AVERAGEMASS 322.26686 |
| − | SMILES Oc(c3)c(O)cc(c3)C(C(O)2)Oc(c(O)1)c(C2)c(O)c(O)c(O)1 | + | SMILES Oc(c3)c(O)cc(c3)C(C(O)2)Oc(c(O)1)c(C2)c(O)c(O)c(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/
23 25 0 0 0 0 0 0 0 0999 V2000
-0.9916 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9916 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4373 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4373 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1518 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8242 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4966 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4966 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8242 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1518 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1351 0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8242 2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 -1.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1351 1.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 0.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9769 -1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 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
1 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 2 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
4 17 1 0 0 0 0
18 15 1 0 0 0 0
8 19 1 1 0 0 0
6 20 1 0 0 0 0
14 21 1 0 0 0 0
3 22 1 0 0 0 0
5 23 1 0 0 0 0
S SKP 8
ID FL63GCNS0001
KNApSAcK_ID C00013250
NAME Elephantorrhizol;(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol
CAS_RN 848154-70-1
FORMULA C15H14O8
EXACTMASS 322.068867424
AVERAGEMASS 322.26686
SMILES Oc(c3)c(O)cc(c3)C(C(O)2)Oc(c(O)1)c(C2)c(O)c(O)c(O)1
M END
