Mol:FL3FALNI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.1799 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1799 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2925 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2925 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2925 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2925 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8488 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4052 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4052 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4052 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4052 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8488 0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8488 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9612 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9612 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5282 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5282 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0952 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0952 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0952 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0952 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5282 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5282 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9612 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9612 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3762 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3762 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6087 1.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6087 1.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3944 1.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3944 1.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5237 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5237 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6087 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6087 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0538 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0538 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5001 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5001 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9476 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9476 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0538 -1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0538 -1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3950 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3950 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8437 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8437 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1607 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1607 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 -1.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -1.1790 0.0000 O 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 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 30 28 2 0 0 0 0 | + | 30 28 2 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0005 | + | ID FL3FALNI0005 |
| − | KNApSAcK_ID C00004027 | + | KNApSAcK_ID C00004027 |
| − | NAME Albanin E | + | NAME Albanin E |
| − | CAS_RN 134955-27-4 | + | CAS_RN 134955-27-4 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(c(c3)c(O)cc(O)c3)(=C2)Oc(c1)c(C2=O)c(c(c1O)CC=C(C)CCC=C(C)C)O | + | SMILES C(c(c3)c(O)cc(O)c3)(=C2)Oc(c1)c(C2=O)c(c(c1O)CC=C(C)CCC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
0.1799 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2925 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2925 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8488 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4052 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4052 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8488 0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8488 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9612 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5282 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0952 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0952 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5282 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9612 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3762 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6087 1.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3944 1.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5237 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6087 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0538 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5001 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9476 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0538 -1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3950 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1607 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -1.1790 0.0000 O 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
17 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
23 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
21 30 1 0 0 0 0
30 28 2 0 0 0 0
3 31 1 0 0 0 0
S SKP 8
ID FL3FALNI0005
KNApSAcK_ID C00004027
NAME Albanin E
CAS_RN 134955-27-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(c(c3)c(O)cc(O)c3)(=C2)Oc(c1)c(C2=O)c(c(c1O)CC=C(C)CCC=C(C)C)O
M END
