Mol:FL2FA9NI0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6797 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6797 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.5669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.5669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -0.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -0.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 -0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 -0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -2.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -2.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2356 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2356 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 2.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 2.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1995 -1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1995 -1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0369 0.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0369 0.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5369 0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5369 0.9178 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 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 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 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 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 |
| − | 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 -2.0369 0.0518 | + | M SVB 1 27 -2.0369 0.0518 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0012 | + | ID FL2FA9NI0012 |
| − | KNApSAcK_ID C00008186 | + | KNApSAcK_ID C00008186 |
| − | NAME Tephrowatsin C | + | NAME Tephrowatsin C |
| − | CAS_RN 97640-81-8 | + | CAS_RN 97640-81-8 |
| − | FORMULA C21H24O5 | + | FORMULA C21H24O5 |
| − | EXACTMASS 356.162373878 | + | EXACTMASS 356.162373878 |
| − | AVERAGEMASS 356.41226 | + | AVERAGEMASS 356.41226 |
| − | SMILES COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)CCC(C)(C)O | + | SMILES COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)CCC(C)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.6797 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6797 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.5669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0108 -0.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 -0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -2.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 2.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1995 -1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0369 0.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5369 0.9178 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 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
7 17 2 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
3 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
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 -2.0369 0.0518
S SKP 8
ID FL2FA9NI0012
KNApSAcK_ID C00008186
NAME Tephrowatsin C
CAS_RN 97640-81-8
FORMULA C21H24O5
EXACTMASS 356.162373878
AVERAGEMASS 356.41226
SMILES COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)CCC(C)(C)O
M END
