Mol:FL7AAAGO0003
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 |
| − | -2.2806 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2806 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2806 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2806 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7243 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7243 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1680 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1680 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1680 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1680 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7243 1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7243 1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6116 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6116 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0553 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0553 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0553 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0553 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6116 1.4851 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.6116 1.4851 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5007 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5007 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0677 1.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0677 1.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6347 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6347 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6347 2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6347 2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0677 2.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0677 2.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5007 2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5007 2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2015 2.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2015 2.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8367 1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8367 1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7243 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7243 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7371 -0.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7371 -0.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7875 -1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7875 -1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4158 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4158 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2164 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2164 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4158 -0.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4158 -0.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7875 -0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7875 -0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9868 -0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9868 -0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7572 -0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7572 -0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9489 -2.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9489 -2.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2642 -2.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2642 -2.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8367 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8367 -1.5619 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 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGS0003 | + | ID FL7AAAGS0003 |
| − | KNApSAcK_ID C00006631 | + | KNApSAcK_ID C00006631 |
| − | NAME Pelargonidin 3-rhamnoside | + | NAME Pelargonidin 3-rhamnoside |
| − | CAS_RN 56190-03-5 | + | CAS_RN 56190-03-5 |
| − | FORMULA C21H21O9 | + | FORMULA C21H21O9 |
| − | EXACTMASS 417.11855727 | + | EXACTMASS 417.11855727 |
| − | AVERAGEMASS 417.38604 | + | AVERAGEMASS 417.38604 |
| − | SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(O)C(O)C(C)3)1)[o+1]c(c2)c(c(cc(O)2)O)c1 | + | SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(O)C(O)C(C)3)1)[o+1]c(c2)c(c(cc(O)2)O)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.2806 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2806 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7243 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1680 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1680 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7243 1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6116 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0553 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0553 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6116 1.4851 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.5007 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0677 1.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6347 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6347 2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0677 2.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2015 2.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8367 1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7243 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7371 -0.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7875 -1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4158 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2164 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4158 -0.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7875 -0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 -0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7572 -0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9489 -2.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2642 -2.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8367 -1.5619 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
20 8 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 20 1 0 0 0 0
S SKP 8
ID FL7AAAGS0003
KNApSAcK_ID C00006631
NAME Pelargonidin 3-rhamnoside
CAS_RN 56190-03-5
FORMULA C21H21O9
EXACTMASS 417.11855727
AVERAGEMASS 417.38604
SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(O)C(O)C(C)3)1)[o+1]c(c2)c(c(cc(O)2)O)c1
M END
