Mol:FL63ACNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6761 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6761 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6761 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6761 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1198 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1198 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5635 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5635 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5635 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5635 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1198 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1198 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0072 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0072 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5491 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5491 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5491 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5491 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0072 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0072 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1052 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1052 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6722 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6722 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2391 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2391 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2391 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2391 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6722 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6722 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1052 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1052 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2322 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2322 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8059 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8059 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6722 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6722 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1198 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1198 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6812 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6812 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2425 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2425 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8059 1.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8059 1.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5590 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5590 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1198 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1198 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1052 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1052 -1.1394 0.0000 O 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 22 23 1 6 0 0 0 | + | 22 23 1 6 0 0 0 |
| − | 20 24 1 1 0 0 0 | + | 20 24 1 1 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 8 26 1 6 0 0 0 | + | 8 26 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNP0001 | + | ID FL63ACNP0001 |
| − | KNApSAcK_ID C00008961 | + | KNApSAcK_ID C00008961 |
| − | NAME 9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin | + | NAME 9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin |
| − | CAS_RN 162793-68-2 | + | CAS_RN 162793-68-2 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)1)c(O3)c(C(C)2)c(OC(O)C2)c1 | + | SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)1)c(O3)c(C(C)2)c(OC(O)C2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.6761 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6761 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5635 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5635 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0072 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5491 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5491 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0072 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6722 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6722 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2322 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6722 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6812 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2425 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8059 1.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5590 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 -1.1394 0.0000 O 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
14 18 1 0 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 6 0 0 0
20 24 1 1 0 0 0
3 25 1 0 0 0 0
8 26 1 6 0 0 0
S SKP 8
ID FL63ACNP0001
KNApSAcK_ID C00008961
NAME 9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin
CAS_RN 162793-68-2
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)1)c(O3)c(C(C)2)c(OC(O)C2)c1
M END
