Mol:FL1AUNNF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7204 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7204 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7204 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7204 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2396 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2396 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7588 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7588 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7588 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7588 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2396 -0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2396 -0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1502 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1502 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2023 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2023 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1502 0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1502 0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6440 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6440 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3642 0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3642 0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9605 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9605 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2043 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2043 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8647 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8647 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3834 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3834 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6428 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6428 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3834 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3834 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8647 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8647 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6053 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6053 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8647 -0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8647 -0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1501 0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1501 0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2043 1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2043 1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7305 1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7305 1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0243 -1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0243 -1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8089 -1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8089 -1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 13 4 1 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 10 20 2 0 0 0 0 | + | 10 20 2 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 23 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -4.8804 4.1219 | + | M SBV 1 28 -4.8804 4.1219 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1AUNNF0002 | + | ID FL1AUNNF0002 |
| − | KNApSAcK_ID C00008040 | + | KNApSAcK_ID C00008040 |
| − | NAME Derriobtusone B | + | NAME Derriobtusone B |
| − | CAS_RN 61755-73-5 | + | CAS_RN 61755-73-5 |
| − | FORMULA C19H12O6 | + | FORMULA C19H12O6 |
| − | EXACTMASS 336.063388116 | + | EXACTMASS 336.063388116 |
| − | AVERAGEMASS 336.29498 | + | AVERAGEMASS 336.29498 |
| − | SMILES c(c51)(OCO5)ccc(C(c(o4)c(c(c43)ccc(c32)occ2)OC)=O)c1 | + | SMILES c(c51)(OCO5)ccc(C(c(o4)c(c(c43)ccc(c32)occ2)OC)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-0.7204 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7588 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7588 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 -0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2023 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6440 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3642 0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9605 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6428 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 -0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2043 1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7305 1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0243 -1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8089 -1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
3 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 4 1 0 0 0 0
10 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
10 20 2 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
7 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -4.8804 4.1219
S SKP 8
ID FL1AUNNF0002
KNApSAcK_ID C00008040
NAME Derriobtusone B
CAS_RN 61755-73-5
FORMULA C19H12O6
EXACTMASS 336.063388116
AVERAGEMASS 336.29498
SMILES c(c51)(OCO5)ccc(C(c(o4)c(c(c43)ccc(c32)occ2)OC)=O)c1
M END
