Mol:FL3FAANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9785 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9785 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9785 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9785 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4222 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4222 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8659 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8659 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8659 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8659 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4222 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4222 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3096 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3096 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2467 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2467 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2467 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2467 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3096 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3096 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3096 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3096 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8028 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8028 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3698 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3698 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9368 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9368 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9368 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9368 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3698 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3698 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8028 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8028 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5346 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5346 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4222 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4222 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5346 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5346 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0907 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0907 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6456 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6456 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2005 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2005 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6456 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6456 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5036 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5036 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5036 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5036 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0692 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0692 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6348 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6348 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2005 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2005 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6348 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6348 -0.5080 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 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 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANI0001 | + | ID FL3FAANI0001 |
| − | KNApSAcK_ID C00004017 | + | KNApSAcK_ID C00004017 |
| − | NAME Gancaonin Q | + | NAME Gancaonin Q |
| − | CAS_RN 134958-52-4 | + | CAS_RN 134958-52-4 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES O=C(C=2)c(c(OC2c(c3)cc(c(c3)O)CC=C(C)C)1)c(c(CC=C(C)C)c(O)c1)O | + | SMILES O=C(C=2)c(c(OC2c(c3)cc(c(c3)O)CC=C(C)C)1)c(c(CC=C(C)C)c(O)c1)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/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.9785 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9785 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8659 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8659 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3096 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3096 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3096 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8028 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3698 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9368 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9368 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3698 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8028 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5346 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5346 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0907 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6456 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2005 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6456 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5036 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5036 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0692 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6348 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2005 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6348 -0.5080 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
3 19 1 0 0 0 0
2 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
15 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL3FAANI0001
KNApSAcK_ID C00004017
NAME Gancaonin Q
CAS_RN 134958-52-4
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES O=C(C=2)c(c(OC2c(c3)cc(c(c3)O)CC=C(C)C)1)c(c(CC=C(C)C)c(O)c1)O
M END
