Mol:FL7AACGO0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0434 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0434 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0434 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0434 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9308 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9308 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9308 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9308 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3745 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3745 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1818 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1818 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1818 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1818 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3745 0.9310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3745 0.9310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8719 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8719 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8719 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8719 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 1.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 1.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4387 1.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4387 1.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5995 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5995 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 -0.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 -0.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7583 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7583 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5503 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5503 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1786 -2.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1786 -2.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1786 -0.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1786 -0.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5503 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5503 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7496 -0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7496 -0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5200 -0.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5200 -0.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7117 -2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7117 -2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0270 -2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0270 -2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5995 -1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5995 -1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGS0003 | + | ID FL7AACGS0003 |
| − | KNApSAcK_ID C00006653 | + | KNApSAcK_ID C00006653 |
| − | NAME Cyanidin 3-rhamnoside | + | NAME Cyanidin 3-rhamnoside |
| − | CAS_RN 38533-30-1 | + | CAS_RN 38533-30-1 |
| − | FORMULA C21H21O10 | + | FORMULA C21H21O10 |
| − | EXACTMASS 433.113471892 | + | EXACTMASS 433.113471892 |
| − | AVERAGEMASS 433.38544 | + | AVERAGEMASS 433.38544 |
| − | SMILES c(c(O)4)c(O)c(c(c4)2)cc(c(c(c3)cc(c(O)c3)O)[o+1]2)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES c(c(O)4)c(O)c(c(c4)2)cc(c(c(c3)cc(c(O)c3)O)[o+1]2)OC(O1)C(O)C(O)C(O)C(C)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.0434 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0434 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1818 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1818 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 0.9310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.7379 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 1.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4387 1.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5995 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -0.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5503 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 -2.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 -0.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5503 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7496 -0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 -0.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7117 -2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0270 -2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5995 -1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
20 26 1 0 0 0 0
S SKP 8
ID FL7AACGS0003
KNApSAcK_ID C00006653
NAME Cyanidin 3-rhamnoside
CAS_RN 38533-30-1
FORMULA C21H21O10
EXACTMASS 433.113471892
AVERAGEMASS 433.38544
SMILES c(c(O)4)c(O)c(c(c4)2)cc(c(c(c3)cc(c(O)c3)O)[o+1]2)OC(O1)C(O)C(O)C(O)C(C)1
M END
