Mol:FL5FFANS0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5449 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5449 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5449 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5449 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9886 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9886 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4323 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4323 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4323 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4323 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9886 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9886 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1240 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1240 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6803 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6803 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6803 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6803 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1240 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1240 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1240 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1240 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2364 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2364 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8033 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8033 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3703 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3703 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3703 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3703 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8033 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8033 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2364 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2364 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2364 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2364 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9886 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9886 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1010 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1010 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9886 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9886 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5339 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5339 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0024 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0024 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5339 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5339 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9371 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9371 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4703 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4703 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9371 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9371 0.8579 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0018 | + | ID FL5FFANS0018 |
| − | KNApSAcK_ID C00004923 | + | KNApSAcK_ID C00004923 |
| − | NAME Herbacetin 8-butyrate | + | NAME Herbacetin 8-butyrate |
| − | CAS_RN 83677-11-6 | + | CAS_RN 83677-11-6 |
| − | FORMULA C19H16O8 | + | FORMULA C19H16O8 |
| − | EXACTMASS 372.08451748799996 | + | EXACTMASS 372.08451748799996 |
| − | AVERAGEMASS 372.32554 | + | AVERAGEMASS 372.32554 |
| − | SMILES c(c1OC(=O)CCC)(O)cc(c(C2=O)c(OC(c(c3)ccc(O)c3)=C2O)1)O | + | SMILES c(c1OC(=O)CCC)(O)cc(c(C2=O)c(OC(c(c3)ccc(O)c3)=C2O)1)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.5449 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5449 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4323 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4323 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6803 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6803 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2364 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8033 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3703 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3703 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8033 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2364 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2364 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1010 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5339 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0024 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5339 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9371 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4703 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9371 0.8579 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
15 25 1 0 0 0 0
23 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL5FFANS0018
KNApSAcK_ID C00004923
NAME Herbacetin 8-butyrate
CAS_RN 83677-11-6
FORMULA C19H16O8
EXACTMASS 372.08451748799996
AVERAGEMASS 372.32554
SMILES c(c1OC(=O)CCC)(O)cc(c(C2=O)c(OC(c(c3)ccc(O)c3)=C2O)1)O
M END
