Mol:FL3FADNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.1799 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1799 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2925 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2925 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2925 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2925 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8488 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4052 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4052 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4052 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4052 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8488 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8488 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9612 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9612 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5282 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5282 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0952 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0952 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0952 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0952 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5282 1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5282 1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9612 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9612 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3762 0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3762 0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0952 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0952 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5237 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5237 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6087 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6087 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0538 -1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0538 -1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5001 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5001 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9476 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9476 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0538 -1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0538 -1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3950 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3950 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8437 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8437 -1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 -1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1607 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1607 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 -1.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -1.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8116 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8116 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2530 2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2530 2.6669 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 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 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 29 27 2 0 0 0 0 | + | 29 27 2 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 3.8116 1.7696 | + | M SVB 1 33 3.8116 1.7696 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FADNI0001 | + | ID FL3FADNI0001 |
| − | KNApSAcK_ID C00004035 | + | KNApSAcK_ID C00004035 |
| − | NAME Cannflavin A | + | NAME Cannflavin A |
| − | CAS_RN 76735-57-4 | + | CAS_RN 76735-57-4 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES O(c23)C(=CC(c(c(O)c(c(O)c3)CC=C(CCC=C(C)C)C)2)=O)c(c1)cc(OC)c(c1)O | + | SMILES O(c23)C(=CC(c(c(O)c(c(O)c3)CC=C(CCC=C(C)C)C)2)=O)c(c1)cc(OC)c(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
0.1799 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2925 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2925 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8488 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4052 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4052 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8488 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8488 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9612 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5282 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0952 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0952 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5282 1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9612 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3762 0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0952 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5237 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6087 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0538 -1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5001 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9476 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0538 -1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3950 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 -1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1607 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -1.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8116 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2530 2.6669 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
19 15 1 0 0 0 0
2 20 1 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
22 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
20 29 1 0 0 0 0
29 27 2 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 3.8116 1.7696
S SKP 8
ID FL3FADNI0001
KNApSAcK_ID C00004035
NAME Cannflavin A
CAS_RN 76735-57-4
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES O(c23)C(=CC(c(c(O)c(c(O)c3)CC=C(CCC=C(C)C)C)2)=O)c(c1)cc(OC)c(c1)O
M END
