Mol:FL3FALNR0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9362 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9362 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9362 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9362 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8236 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8236 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8236 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8236 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2673 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2673 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2890 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2890 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2890 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2890 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2673 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2673 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2673 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2673 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8451 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8451 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4121 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4121 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9790 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9790 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9790 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9790 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4121 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4121 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8451 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8451 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4925 1.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4925 1.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4925 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4925 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4121 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4121 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8451 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8451 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8344 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8344 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3851 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3851 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3744 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3744 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9452 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9452 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9360 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9360 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9360 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9360 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4921 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4921 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 2.4120 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 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 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNR0002 | + | ID FL3FALNR0002 |
| − | KNApSAcK_ID C00004061 | + | KNApSAcK_ID C00004061 |
| − | NAME Cyclomulberrin | + | NAME Cyclomulberrin |
| − | CAS_RN 19275-51-5 | + | CAS_RN 19275-51-5 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES C(C)(C)=CC(O4)C(=C1c(c43)ccc(O)c3)C(c(c2O)c(c(c(O)c2)CC=C(C)C)O1)=O | + | SMILES C(C)(C)=CC(O4)C(=C1c(c43)ccc(O)c3)C(c(c2O)c(c(c(O)c2)CC=C(C)C)O1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9362 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9362 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8236 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8236 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2673 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2673 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2673 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4121 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9790 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9790 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4121 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4925 1.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4925 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4121 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8344 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3851 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3744 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9452 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9360 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9360 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4921 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 2.4120 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
18 15 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
13 21 1 0 0 0 0
8 22 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL3FALNR0002
KNApSAcK_ID C00004061
NAME Cyclomulberrin
CAS_RN 19275-51-5
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(C)(C)=CC(O4)C(=C1c(c43)ccc(O)c3)C(c(c2O)c(c(c(O)c2)CC=C(C)C)O1)=O
M END
