Mol:FL1DA9NC0003
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 |
| − | 3.1410 -3.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1410 -3.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6144 -2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6144 -2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5640 -2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5640 -2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0403 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0403 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5671 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5671 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6174 -2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6174 -2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0276 -1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0276 -1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4664 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4664 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3793 -0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3793 -0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4701 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4701 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9845 0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9845 0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4988 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4988 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4988 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4988 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9845 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9845 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4701 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4701 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1913 -3.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1913 -3.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0371 -1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0371 -1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4499 -1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4499 -1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1378 -2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1378 -2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6108 -2.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6108 -2.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1168 -2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1168 -2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5741 -2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5741 -2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5254 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5254 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0194 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0194 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5621 -2.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5621 -2.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1654 -3.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1654 -3.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0434 -2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0434 -2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1371 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1371 -1.5855 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 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 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 0.4696 0.9795 | + | M SVB 1 29 0.4696 0.9795 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NC0003 | + | ID FL1DA9NC0003 |
| − | KNApSAcK_ID C00001012 | + | KNApSAcK_ID C00001012 |
| − | NAME Uvaretin | + | NAME Uvaretin |
| − | CAS_RN 58449-06-2 | + | CAS_RN 58449-06-2 |
| − | FORMULA C23H22O5 | + | FORMULA C23H22O5 |
| − | EXACTMASS 378.146723814 | + | EXACTMASS 378.146723814 |
| − | AVERAGEMASS 378.41778000000005 | + | AVERAGEMASS 378.41778000000005 |
| − | SMILES O(C)c(c2C(=O)CCc(c3)cccc3)cc(c(c2O)Cc(c1)c(ccc1)O)O | + | SMILES O(C)c(c2C(=O)CCc(c3)cccc3)cc(c(c2O)Cc(c1)c(ccc1)O)O |
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
3.1410 -3.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6144 -2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5640 -2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5671 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6174 -2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0276 -1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4664 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3793 -0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1913 -3.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0371 -1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4499 -1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1378 -2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6108 -2.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1168 -2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5741 -2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5254 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0194 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5621 -2.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1654 -3.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0434 -2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1371 -1.5855 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
1 16 1 0 0 0 0
3 17 1 0 0 0 0
7 18 2 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
21 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 0.4696 0.9795
S SKP 8
ID FL1DA9NC0003
KNApSAcK_ID C00001012
NAME Uvaretin
CAS_RN 58449-06-2
FORMULA C23H22O5
EXACTMASS 378.146723814
AVERAGEMASS 378.41778000000005
SMILES O(C)c(c2C(=O)CCc(c3)cccc3)cc(c(c2O)Cc(c1)c(ccc1)O)O
M END
