Mol:FL1CA9NM0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0511 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0511 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0511 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0511 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4948 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9385 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9385 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9385 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9385 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4948 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3822 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1741 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1741 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7302 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7302 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2863 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2863 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4083 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4083 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4083 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4083 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2863 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2863 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3822 -1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4948 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3824 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3824 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9312 -0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9312 -0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2167 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2167 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4083 0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4083 0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9082 1.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9082 1.7715 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 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 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.4083 0.9054 | + | M SVB 2 22 -2.4083 0.9054 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -1.9312 -0.8374 | + | M SVB 1 20 -1.9312 -0.8374 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NM0004 | + | ID FL1CA9NM0004 |
| − | KNApSAcK_ID C00007043 | + | KNApSAcK_ID C00007043 |
| − | NAME Aurentiacin | + | NAME Aurentiacin |
| − | CAS_RN 58969-62-3 | + | CAS_RN 58969-62-3 |
| − | FORMULA C18H18O4 | + | FORMULA C18H18O4 |
| − | EXACTMASS 298.120509064 | + | EXACTMASS 298.120509064 |
| − | AVERAGEMASS 298.33312 | + | AVERAGEMASS 298.33312 |
| − | SMILES c(c2C)(OC)cc(c(c2O)C(=O)C=Cc(c1)cccc1)OC | + | SMILES c(c2C)(OC)cc(c(c2O)C(=O)C=Cc(c1)cccc1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.0511 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0511 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1741 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3824 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9312 -0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4083 0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9082 1.7715 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 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
7 16 2 0 0 0 0
6 17 1 0 0 0 0
5 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.4083 0.9054
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.9312 -0.8374
S SKP 8
ID FL1CA9NM0004
KNApSAcK_ID C00007043
NAME Aurentiacin
CAS_RN 58969-62-3
FORMULA C18H18O4
EXACTMASS 298.120509064
AVERAGEMASS 298.33312
SMILES c(c2C)(OC)cc(c(c2O)C(=O)C=Cc(c1)cccc1)OC
M END
