Mol:FL64A9NI0001
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 |
| − | -1.5867 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5867 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5867 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5867 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0862 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0862 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5858 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5858 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5858 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5858 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0862 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0862 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0853 -1.1485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.0853 -1.1485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.4151 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4151 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4151 -0.2817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.4151 -0.2817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.0853 0.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0853 0.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9152 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9152 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 -0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 -0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9439 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9439 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9439 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9439 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9152 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9152 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4151 0.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4151 0.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3996 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3996 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2030 -1.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2030 -1.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0862 0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0862 0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8329 0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8329 0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1063 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1063 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5775 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5775 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8162 1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8162 1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9439 0.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9439 0.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5507 -1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5507 -1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8362 -1.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8362 -1.7054 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 7 18 1 1 0 0 0 | + | 7 18 1 1 0 0 0 |
| − | 7 19 1 6 0 0 0 | + | 7 19 1 6 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 -1.5507 -1.2929 | + | M SVB 2 29 -1.5507 -1.2929 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.9439 0.3371 | + | M SVB 1 27 -1.9439 0.3371 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64A9NI0001 | + | ID FL64A9NI0001 |
| − | KNApSAcK_ID C00001009 | + | KNApSAcK_ID C00001009 |
| − | NAME Tephrowatsin A | + | NAME Tephrowatsin A |
| − | CAS_RN 97640-79-4 | + | CAS_RN 97640-79-4 |
| − | FORMULA C22H26O4 | + | FORMULA C22H26O4 |
| − | EXACTMASS 354.18310931999997 | + | EXACTMASS 354.18310931999997 |
| − | AVERAGEMASS 354.43944 | + | AVERAGEMASS 354.43944 |
| − | SMILES C(C)(C)=CCc(c12)c(OC)cc(OC)c([C@](C[C@@]([H])(c(c3)cccc3)O2)([H])O)1 | + | SMILES C(C)(C)=CCc(c12)c(OC)cc(OC)c([C@](C[C@@]([H])(c(c3)cccc3)O2)([H])O)1 |
M END | M END | ||
| − | |||
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
-1.5867 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5867 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5858 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5858 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0853 -1.1485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4151 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4151 -0.2817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0853 0.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9152 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 -0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9439 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9439 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9152 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4151 0.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3996 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2030 -1.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8329 0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1063 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5775 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8162 1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9439 0.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5507 -1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8362 -1.7054 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 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
9 17 1 1 0 0 0
7 18 1 1 0 0 0
7 19 1 6 0 0 0
6 20 1 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
22 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -1.5507 -1.2929
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.9439 0.3371
S SKP 8
ID FL64A9NI0001
KNApSAcK_ID C00001009
NAME Tephrowatsin A
CAS_RN 97640-79-4
FORMULA C22H26O4
EXACTMASS 354.18310931999997
AVERAGEMASS 354.43944
SMILES C(C)(C)=CCc(c12)c(OC)cc(OC)c([C@](C[C@@]([H])(c(c3)cccc3)O2)([H])O)1
M END
