Mol:FL7AAGGL0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2200 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2200 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2200 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2200 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6636 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6636 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1073 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1073 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1073 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1073 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6636 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6636 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5510 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5510 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9947 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9947 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9947 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9947 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5510 1.1889 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.5510 1.1889 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4386 1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4386 1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1283 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1283 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6953 1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6953 1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6953 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6953 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1283 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1283 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4386 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4386 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7760 1.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7760 1.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2621 2.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2621 2.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6636 -0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6636 -0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5786 -0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5786 -0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9242 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9242 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6560 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6560 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1718 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1718 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6907 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6907 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9590 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9590 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4432 -0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4432 -0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4260 -0.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4260 -0.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5848 -0.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5848 -0.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3662 -0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3662 -0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2404 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2404 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1283 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1283 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6417 -1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6417 -1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2158 -2.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2158 -2.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2158 -2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2158 -2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7760 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7760 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2621 0.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2621 0.8615 0.0000 O 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 13 36 1 0 0 0 0 | + | 13 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0015 | + | ID FL7AAGGL0015 |
| − | KNApSAcK_ID C00006876 | + | KNApSAcK_ID C00006876 |
| − | NAME Delphinidin 3-(6''-acetylglucoside) | + | NAME Delphinidin 3-(6''-acetylglucoside) |
| − | CAS_RN 129031-46-5,122711-00-6,66594-00-1 | + | CAS_RN 129031-46-5,122711-00-6,66594-00-1 |
| − | FORMULA C23H23O13 | + | FORMULA C23H23O13 |
| − | EXACTMASS 507.113865822 | + | EXACTMASS 507.113865822 |
| − | AVERAGEMASS 507.42092 | + | AVERAGEMASS 507.42092 |
| − | SMILES C(C(O1)C(C(C(O)C1Oc(c2)c(c(c4)cc(O)c(O)c(O)4)[o+1]c(c3)c(c(O)cc(O)3)2)O)O)OC(C)=O | + | SMILES C(C(O1)C(C(C(O)C1Oc(c2)c(c(c4)cc(O)c(O)c(O)4)[o+1]c(c3)c(c(O)cc(O)3)2)O)O)OC(C)=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/
36 39 0 0 0 0 0 0 0 0999 V2000
-3.2200 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2200 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6636 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1073 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1073 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6636 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5510 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9947 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9947 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5510 1.1889 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.4386 1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1283 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1283 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4386 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7760 1.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2621 2.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6636 -0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5786 -0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9242 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6560 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6907 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9590 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4432 -0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4260 -0.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5848 -0.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 -0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2404 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1283 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6417 -1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2158 -2.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2158 -2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7760 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2621 0.8615 0.0000 O 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
24 30 1 0 0 0 0
15 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
13 36 1 0 0 0 0
S SKP 8
ID FL7AAGGL0015
KNApSAcK_ID C00006876
NAME Delphinidin 3-(6''-acetylglucoside)
CAS_RN 129031-46-5,122711-00-6,66594-00-1
FORMULA C23H23O13
EXACTMASS 507.113865822
AVERAGEMASS 507.42092
SMILES C(C(O1)C(C(C(O)C1Oc(c2)c(c(c4)cc(O)c(O)c(O)4)[o+1]c(c3)c(c(O)cc(O)3)2)O)O)OC(C)=O
M END
