Mol:FL63ACNS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
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| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 39 43 1 0 0 0 0 | + | 39 43 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNS0017 | + | ID FL63ACNS0017 |
| − | KNApSAcK_ID C00008877 | + | KNApSAcK_ID C00008877 |
| − | NAME Catechin 5,7,-di-O-gallate | + | NAME Catechin 5,7,-di-O-gallate |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C29H22O14 | + | FORMULA C29H22O14 |
| − | EXACTMASS 594.100955412 | + | EXACTMASS 594.100955412 |
| − | AVERAGEMASS 594.47658 | + | AVERAGEMASS 594.47658 |
| − | SMILES c(O)(c1)c(O)ccc(C(O2)C(Cc(c(OC(=O)c(c5)cc(c(c(O)5)O)O)4)c2cc(c4)OC(=O)c(c3)cc(c(c3O)O)O)O)1 | + | SMILES c(O)(c1)c(O)ccc(C(O2)C(Cc(c(OC(=O)c(c5)cc(c(c(O)5)O)O)4)c2cc(c4)OC(=O)c(c3)cc(c(c3O)O)O)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/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.4936 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4936 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0449 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5834 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5834 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0449 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1220 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6605 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6605 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1220 0.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0318 0.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1715 -0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6848 0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6848 1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8277 1.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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39 40 2 0 0 0 0
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39 43 1 0 0 0 0
S SKP 8
ID FL63ACNS0017
KNApSAcK_ID C00008877
NAME Catechin 5,7,-di-O-gallate
CAS_RN -
FORMULA C29H22O14
EXACTMASS 594.100955412
AVERAGEMASS 594.47658
SMILES c(O)(c1)c(O)ccc(C(O2)C(Cc(c(OC(=O)c(c5)cc(c(c(O)5)O)O)4)c2cc(c4)OC(=O)c(c3)cc(c(c3O)O)O)O)1
M END
