Mol:FL1DA9NC0001
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 |
| − | 2.8570 -4.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8570 -4.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3303 -3.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3303 -3.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2800 -3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2800 -3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7562 -2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7562 -2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2830 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2830 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3335 -3.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3335 -3.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7434 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7434 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1822 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1822 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0952 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0952 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1860 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1860 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7004 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7004 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2147 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2147 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2147 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2147 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7004 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7004 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1860 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1860 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7531 -2.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7531 -2.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1659 -2.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1659 -2.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8604 -4.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8604 -4.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9108 -4.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9108 -4.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4855 -4.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4855 -4.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5308 -5.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5308 -5.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0013 -5.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0013 -5.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4265 -5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4265 -5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3812 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3812 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0157 -4.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0157 -4.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9072 -4.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9072 -4.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7594 -2.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7594 -2.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8530 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8530 -2.5208 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 |
| − | 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 3 16 1 0 0 0 0 | + | 3 16 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 5 27 1 0 0 0 0 | + | 5 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 0.1854 0.0442 | + | M SVB 1 29 0.1854 0.0442 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NC0001 | + | ID FL1DA9NC0001 |
| − | KNApSAcK_ID C00000974 | + | KNApSAcK_ID C00000974 |
| − | NAME Isouvaretin | + | NAME Isouvaretin |
| − | CAS_RN 61463-03-4 | + | CAS_RN 61463-03-4 |
| − | FORMULA C23H22O5 | + | FORMULA C23H22O5 |
| − | EXACTMASS 378.146723814 | + | EXACTMASS 378.146723814 |
| − | AVERAGEMASS 378.41778000000005 | + | AVERAGEMASS 378.41778000000005 |
| − | SMILES COc(c1C(=O)CCc(c3)cccc3)c(Cc(c2)c(ccc2)O)c(O)cc1O | + | SMILES COc(c1C(=O)CCc(c3)cccc3)c(Cc(c2)c(ccc2)O)c(O)cc1O |
M END | M END | ||
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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
2.8570 -4.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3303 -3.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2800 -3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7562 -2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2830 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3335 -3.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7434 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1822 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0952 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1860 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7004 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2147 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2147 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7004 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1860 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7531 -2.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1659 -2.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 -4.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9108 -4.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4855 -4.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5308 -5.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0013 -5.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4265 -5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3812 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0157 -4.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9072 -4.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 -2.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8530 -2.5208 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
3 16 1 0 0 0 0
7 17 2 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
20 25 1 0 0 0 0
1 26 1 0 0 0 0
5 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 0.1854 0.0442
S SKP 8
ID FL1DA9NC0001
KNApSAcK_ID C00000974
NAME Isouvaretin
CAS_RN 61463-03-4
FORMULA C23H22O5
EXACTMASS 378.146723814
AVERAGEMASS 378.41778000000005
SMILES COc(c1C(=O)CCc(c3)cccc3)c(Cc(c2)c(ccc2)O)c(O)cc1O
M END
