Mol:FL3FAACS0088
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
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| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | 31 23 1 0 0 0 0 | + | 31 23 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACS0088 | + | ID FL3FAACS0088 |
| − | KNApSAcK_ID C00014089 | + | KNApSAcK_ID C00014089 |
| − | NAME Vitexin 3''-O-acetate | + | NAME Vitexin 3''-O-acetate |
| − | CAS_RN 439692-86-1 | + | CAS_RN 439692-86-1 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES c(O)(c(C(C4O)OC(C(O)C(OC(C)=O)4)CO)3)cc(O)c(c23)C(C=C(O2)c(c1)ccc(c1)O)=O | + | SMILES c(O)(c(C(C4O)OC(C(O)C(OC(C)=O)4)CO)3)cc(O)c(c23)C(C=C(O2)c(c1)ccc(c1)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
0.6969 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0176 -0.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7321 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7321 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0176 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6969 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4465 -0.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4465 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4983 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 -0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4983 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6106 0.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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21 22 1 1 0 0 0
22 23 1 1 0 0 0
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24 25 1 0 0 0 0
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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 23 1 0 0 0 0
29 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL3FAACS0088
KNApSAcK_ID C00014089
NAME Vitexin 3''-O-acetate
CAS_RN 439692-86-1
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES c(O)(c(C(C4O)OC(C(O)C(OC(C)=O)4)CO)3)cc(O)c(c23)C(C=C(O2)c(c1)ccc(c1)O)=O
M END
