Mol:FL63AGNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8645 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8645 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4027 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4027 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8006 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8006 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4027 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4027 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4027 -0.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4027 -0.1846 0.0000 O 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 |
| − | 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 |
| − | 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 8 13 1 1 0 0 0 | + | 8 13 1 1 0 0 0 |
| − | 9 14 1 6 0 0 0 | + | 9 14 1 6 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AGNS0002 | + | ID FL63AGNS0002 |
| − | KNApSAcK_ID C00008817 | + | KNApSAcK_ID C00008817 |
| − | NAME (+)-Gallocatechin;(+)-Gallocatechol;Gallocatechin;(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol | + | NAME (+)-Gallocatechin;(+)-Gallocatechol;Gallocatechin;(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol |
| − | CAS_RN 970-73-0 | + | CAS_RN 970-73-0 |
| − | FORMULA C15H14O7 | + | FORMULA C15H14O7 |
| − | EXACTMASS 306.073952802 | + | EXACTMASS 306.073952802 |
| − | AVERAGEMASS 306.26746 | + | AVERAGEMASS 306.26746 |
| − | SMILES Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c(O)3)c(O)1 | + | SMILES Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c(O)3)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8645 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8645 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8006 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 -0.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 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
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
1 11 1 0 0 0 0
3 12 1 0 0 0 0
8 13 1 1 0 0 0
9 14 1 6 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
16 22 1 0 0 0 0
S SKP 8
ID FL63AGNS0002
KNApSAcK_ID C00008817
NAME (+)-Gallocatechin;(+)-Gallocatechol;Gallocatechin;(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
CAS_RN 970-73-0
FORMULA C15H14O7
EXACTMASS 306.073952802
AVERAGEMASS 306.26746
SMILES Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c(O)3)c(O)1
M END
