Mol:FL5FF9NS0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7289 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7289 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1726 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1726 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6163 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6163 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6163 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6163 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1726 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1726 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0600 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0600 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4963 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4963 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4963 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4963 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0600 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0600 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0600 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0600 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0524 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0524 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6194 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6194 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1863 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1863 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1863 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1863 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6194 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6194 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0524 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0524 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1726 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1726 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1726 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1726 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7179 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7179 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2278 1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2278 1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7179 1.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7179 1.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0862 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0862 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5863 1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5863 1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3623 -1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3623 -1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2283 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2283 -1.7929 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 0.6951 -0.999 | + | M SVB 2 27 0.6951 -0.999 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.0862 0.4683 | + | M SVB 1 25 -2.0862 0.4683 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF9NS0014 | + | ID FL5FF9NS0014 |
| − | KNApSAcK_ID C00004919 | + | KNApSAcK_ID C00004919 |
| − | NAME Isognaphalin 8-acetate | + | NAME Isognaphalin 8-acetate |
| − | CAS_RN 98204-86-5 | + | CAS_RN 98204-86-5 |
| − | FORMULA C19H16O7 | + | FORMULA C19H16O7 |
| − | EXACTMASS 356.089602866 | + | EXACTMASS 356.089602866 |
| − | AVERAGEMASS 356.32614 | + | AVERAGEMASS 356.32614 |
| − | SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)OC)(c1)cccc1 | + | SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)OC)(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.7289 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6163 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6163 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4963 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4963 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0524 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6194 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1863 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1863 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6194 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0524 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7179 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2278 1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7179 1.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0862 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5863 1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3623 -1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2283 -1.7929 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
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 0.6951 -0.999
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.0862 0.4683
S SKP 8
ID FL5FF9NS0014
KNApSAcK_ID C00004919
NAME Isognaphalin 8-acetate
CAS_RN 98204-86-5
FORMULA C19H16O7
EXACTMASS 356.089602866
AVERAGEMASS 356.32614
SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)OC)(c1)cccc1
M END
