Mol:FLIAACNP0003
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 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5615 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5615 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5615 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0052 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0052 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4489 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4489 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4489 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4489 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0052 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0052 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3363 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3363 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3363 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3363 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8146 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8146 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4094 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4094 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4094 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4094 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8146 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8146 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0052 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0052 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0036 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0036 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1178 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1178 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1176 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1176 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6741 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6741 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6741 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6741 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6741 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6741 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3768 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3768 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5978 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5978 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1920 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1920 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7850 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7850 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3768 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3768 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7850 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7850 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8146 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8146 -1.7008 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 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNP0003 | + | ID FLIAACNP0003 |
| − | KNApSAcK_ID C00009520 | + | KNApSAcK_ID C00009520 |
| − | NAME Isoauriculasin | + | NAME Isoauriculasin |
| − | CAS_RN 60297-38-3 | + | CAS_RN 60297-38-3 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(c12)c(O4)c(C=CC4(C)C)c(c(C(C(c(c3)cc(O)c(OCC=C(C)C)c3)=CO2)=O)1)O | + | SMILES c(c12)c(O4)c(C=CC4(C)C)c(c(C(C(c(c3)cc(O)c(OCC=C(C)C)c3)=CO2)=O)1)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.5615 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5615 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8146 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8146 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0036 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1178 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1176 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3768 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5978 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1920 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7850 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3768 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7850 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8146 -1.7008 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
13 31 1 0 0 0 0
S SKP 8
ID FLIAACNP0003
KNApSAcK_ID C00009520
NAME Isoauriculasin
CAS_RN 60297-38-3
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c12)c(O4)c(C=CC4(C)C)c(c(C(C(c(c3)cc(O)c(OCC=C(C)C)c3)=CO2)=O)1)O
M END
