Mol:FL7AACGA0014
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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| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
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| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 32 28 1 0 0 0 0 | + | 32 28 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGA0014 | + | ID FL7AACGA0014 |
| − | KNApSAcK_ID C00014758 | + | KNApSAcK_ID C00014758 |
| − | NAME Cyanidin 3-(2-glucosylgalactoside) | + | NAME Cyanidin 3-(2-glucosylgalactoside) |
| − | CAS_RN 220726-09-0 | + | CAS_RN 220726-09-0 |
| − | FORMULA C27H31O16 | + | FORMULA C27H31O16 |
| − | EXACTMASS 611.161209944 | + | EXACTMASS 611.161209944 |
| − | AVERAGEMASS 611.52544 | + | AVERAGEMASS 611.52544 |
| − | SMILES Oc(c(O)1)ccc(c(c(OC(O4)C(OC(C5O)OC(C(C5O)O)CO)C(C(C4CO)O)O)3)[o+1]c(c2c3)cc(O)cc2O)c1 | + | SMILES Oc(c(O)1)ccc(c(c(OC(O4)C(OC(C5O)OC(C(C5O)O)CO)C(C(C4CO)O)O)3)[o+1]c(c2c3)cc(O)cc2O)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/
43 47 0 0 0 0 0 0 0 0999 V2000
-2.5717 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5717 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8572 0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8572 2.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 2.3491 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0627 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7772 1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4916 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4916 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7772 3.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0627 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1318 3.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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27 22 1 0 0 0 0
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22 29 1 0 0 0 0
23 30 1 0 0 0 0
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25 18 1 0 0 0 0
32 28 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 31 1 0 0 0 0
S SKP 8
ID FL7AACGA0014
KNApSAcK_ID C00014758
NAME Cyanidin 3-(2-glucosylgalactoside)
CAS_RN 220726-09-0
FORMULA C27H31O16
EXACTMASS 611.161209944
AVERAGEMASS 611.52544
SMILES Oc(c(O)1)ccc(c(c(OC(O4)C(OC(C5O)OC(C(C5O)O)CO)C(C(C4CO)O)O)3)[o+1]c(c2c3)cc(O)cc2O)c1
M END
