Mol:FL63ACNC0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4428 1.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 1.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9936 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9936 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9936 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9936 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2097 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2097 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2097 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2097 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 1.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 1.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9770 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9770 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9769 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9769 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5438 1.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5438 1.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5438 2.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5438 2.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3341 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3341 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 -0.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 -0.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8914 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8914 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8914 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8914 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3341 -2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3341 -2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2232 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2232 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2232 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2232 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4478 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4478 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7796 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7796 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3341 -3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3341 -3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7598 0.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7598 0.0996 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 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 6 0 0 0 | + | 8 10 1 6 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 17 4 1 0 0 0 0 | + | 17 4 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 6 19 1 1 0 0 0 | + | 6 19 1 1 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 19 22 2 0 0 0 0 | + | 19 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 7 30 1 6 0 0 0 | + | 7 30 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNC0005 | + | ID FL63ACNC0005 |
| − | KNApSAcK_ID C00009321 | + | KNApSAcK_ID C00009321 |
| − | NAME Prodelphinidin B6 | + | NAME Prodelphinidin B6 |
| − | CAS_RN 61541-02-4 | + | CAS_RN 61541-02-4 |
| − | FORMULA C21H18O9 | + | FORMULA C21H18O9 |
| − | EXACTMASS 414.095082174 | + | EXACTMASS 414.095082174 |
| − | AVERAGEMASS 414.36222 | + | AVERAGEMASS 414.36222 |
| − | SMILES c(C(c43)C(O)C(Oc3cc(O)cc4O)c(c2)cc(c(O)c2)O)(c1O)c(cc(c1)O)O | + | SMILES c(C(c43)C(O)C(Oc3cc(O)cc4O)c(c2)cc(c(O)c2)O)(c1O)c(cc(c1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.4428 1.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 1.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9770 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 1.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 2.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 -2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2232 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2232 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4478 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 -3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 0.0996 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
4 5 2 0 0 0 0
5 1 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
8 10 1 6 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
2 16 1 0 0 0 0
3 17 2 0 0 0 0
17 4 1 0 0 0 0
13 18 1 0 0 0 0
6 19 1 1 0 0 0
17 20 1 0 0 0 0
14 21 1 0 0 0 0
19 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 19 1 0 0 0 0
22 27 1 0 0 0 0
26 28 1 0 0 0 0
24 29 1 0 0 0 0
7 30 1 6 0 0 0
S SKP 8
ID FL63ACNC0005
KNApSAcK_ID C00009321
NAME Prodelphinidin B6
CAS_RN 61541-02-4
FORMULA C21H18O9
EXACTMASS 414.095082174
AVERAGEMASS 414.36222
SMILES c(C(c43)C(O)C(Oc3cc(O)cc4O)c(c2)cc(c(O)c2)O)(c1O)c(cc(c1)O)O
M END
