Mol:FL5FFANS0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 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 |
| − | -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 |
| − | -2.0922 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0922 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2658 0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2658 0.3751 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 -1.9022 0.4683 | + | M SVB 1 29 -1.9022 0.4683 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0020 | + | ID FL5FFANS0020 |
| − | KNApSAcK_ID C00004925 | + | KNApSAcK_ID C00004925 |
| − | NAME Pollenitin 8-butyrate | + | NAME Pollenitin 8-butyrate |
| − | CAS_RN 69306-83-8 | + | CAS_RN 69306-83-8 |
| − | FORMULA C20H18O8 | + | FORMULA C20H18O8 |
| − | EXACTMASS 386.100167552 | + | EXACTMASS 386.100167552 |
| − | AVERAGEMASS 386.35212 | + | AVERAGEMASS 386.35212 |
| − | SMILES c(c3)(ccc(O)c3)C(O1)=C(C(c(c(O)2)c1c(c(c2)OC)OC(=O)CCC)=O)O | + | SMILES c(c3)(ccc(O)c3)C(O1)=C(C(c(c(O)2)c1c(c(c2)OC)OC(=O)CCC)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 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
-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
-2.0922 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2658 0.3751 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
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
15 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -1.9022 0.4683
S SKP 8
ID FL5FFANS0020
KNApSAcK_ID C00004925
NAME Pollenitin 8-butyrate
CAS_RN 69306-83-8
FORMULA C20H18O8
EXACTMASS 386.100167552
AVERAGEMASS 386.35212
SMILES c(c3)(ccc(O)c3)C(O1)=C(C(c(c(O)2)c1c(c(c2)OC)OC(=O)CCC)=O)O
M END
