Mol:FL3FAACS0087
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 40 42 1 0 0 0 0 | + | 40 42 1 0 0 0 0 |
| − | 42 23 1 0 0 0 0 | + | 42 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACS0087 | + | ID FL3FAACS0087 |
| − | KNApSAcK_ID C00014088 | + | KNApSAcK_ID C00014088 |
| − | NAME Vitexin 2''-O-gallate | + | NAME Vitexin 2''-O-gallate |
| − | CAS_RN 267883-59-0 | + | CAS_RN 267883-59-0 |
| − | FORMULA C28H24O14 | + | FORMULA C28H24O14 |
| − | EXACTMASS 584.116605476 | + | EXACTMASS 584.116605476 |
| − | AVERAGEMASS 584.48176 | + | AVERAGEMASS 584.48176 |
| − | SMILES C(C(c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)2)(C(O)C(O)C(CO)O2)OC(=O)c(c1)cc(O)c(O)c1O | + | SMILES C(C(c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)2)(C(O)C(O)C(CO)O2)OC(=O)c(c1)cc(O)c(O)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
2.2877 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5732 -0.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8587 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8587 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5732 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1443 -0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5702 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5702 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1443 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5732 -2.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8035 -0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5180 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5180 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8035 1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2015 0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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24 25 1 0 0 0 0
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26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 30 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
7 24 1 0 0 0 0
31 32 2 0 0 0 0
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33 34 2 0 0 0 0
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40 42 1 0 0 0 0
42 23 1 0 0 0 0
S SKP 8
ID FL3FAACS0087
KNApSAcK_ID C00014088
NAME Vitexin 2''-O-gallate
CAS_RN 267883-59-0
FORMULA C28H24O14
EXACTMASS 584.116605476
AVERAGEMASS 584.48176
SMILES C(C(c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)2)(C(O)C(O)C(CO)O2)OC(=O)c(c1)cc(O)c(O)c1O
M END
