Mol:FLIAALNP0007
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5615 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5615 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5615 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5615 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0052 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0052 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4489 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4489 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4489 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4489 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0052 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0052 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3363 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3363 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3363 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3363 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8146 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8146 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4094 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4094 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4094 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4094 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8146 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8146 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0052 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0052 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0036 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0036 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1178 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1178 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1176 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1176 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6741 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6741 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6741 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6741 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6741 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6741 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3768 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3768 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5978 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5978 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1920 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1920 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7850 -1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7850 -1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3768 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3768 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7850 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7850 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3744 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3744 -1.3574 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 21 2 0 0 0 0 | + | 23 21 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 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 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNP0007 | + | ID FLIAALNP0007 |
| − | KNApSAcK_ID C00009519 | + | KNApSAcK_ID C00009519 |
| − | NAME Isoauriculatin | + | NAME Isoauriculatin |
| − | CAS_RN 30431-67-5 | + | CAS_RN 30431-67-5 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES C(=C4)c(c3OC4(C)C)c(O)c(c(c3)1)C(C(c(c2)c(O)cc(c2)OCC=C(C)C)=CO1)=O | + | SMILES C(=C4)c(c3OC4(C)C)c(O)c(c(c3)1)C(C(c(c2)c(O)cc(c2)OCC=C(C)C)=CO1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.5615 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5615 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8146 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8146 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0036 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1178 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1176 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3768 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5978 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1920 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7850 -1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3768 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7850 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3744 -1.3574 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
8 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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 2 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
19 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
12 31 1 0 0 0 0
S SKP 8
ID FLIAALNP0007
KNApSAcK_ID C00009519
NAME Isoauriculatin
CAS_RN 30431-67-5
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(=C4)c(c3OC4(C)C)c(O)c(c(c3)1)C(C(c(c2)c(O)cc(c2)OCC=C(C)C)=CO1)=O
M END
