Mol:FL3FALNI0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.1226 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1226 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4081 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4081 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6936 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6936 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.4081 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4081 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8370 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8370 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5515 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5515 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5515 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5515 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8370 0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8370 0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2660 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2660 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9805 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9805 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6949 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6949 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6949 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6949 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9805 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9805 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2660 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2660 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8370 -2.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8370 -2.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4094 1.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4094 1.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0208 0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0208 0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4081 -2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4081 -2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4081 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4081 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6936 2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6936 2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.0196 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0196 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7329 2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7329 2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4450 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4450 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1559 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1559 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8656 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8656 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5753 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5753 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2838 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2838 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9924 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9924 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7009 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7009 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -6.4094 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4094 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7009 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7009 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
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| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
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| − | 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 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 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 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0012 | + | ID FL3FALNI0012 |
| − | KNApSAcK_ID C00013411 | + | KNApSAcK_ID C00013411 |
| − | NAME Moralbanone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-4H-1-benzopyran-4-one | + | NAME Moralbanone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-4H-1-benzopyran-4-one |
| − | CAS_RN 554403-01-9 | + | CAS_RN 554403-01-9 |
| − | FORMULA C30H34O6 | + | FORMULA C30H34O6 |
| − | EXACTMASS 490.23553882 | + | EXACTMASS 490.23553882 |
| − | AVERAGEMASS 490.58736000000005 | + | AVERAGEMASS 490.58736000000005 |
| − | SMILES c(c12)(c(cc(c1C(C=C(c(c3)c(O)cc(c3)O)O2)=O)O)O)CC=C(C)CCC=C(C)CCC=C(C)C | + | SMILES c(c12)(c(cc(c1C(C=C(c(c3)c(O)cc(c3)O)O2)=O)O)O)CC=C(C)CCC=C(C)CCC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
2.1226 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1226 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8370 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8370 0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2660 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9805 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6949 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6949 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9805 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2660 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8370 -2.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4094 1.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0208 0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 -2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9805 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7329 2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4450 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1559 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8656 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5753 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2838 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9924 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7009 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8656 0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4094 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7009 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 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
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
12 23 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
25 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
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
24 33 1 0 0 0 0
28 34 1 0 0 0 0
32 35 1 0 0 0 0
32 36 1 0 0 0 0
S SKP 8
ID FL3FALNI0012
KNApSAcK_ID C00013411
NAME Moralbanone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-4H-1-benzopyran-4-one
CAS_RN 554403-01-9
FORMULA C30H34O6
EXACTMASS 490.23553882
AVERAGEMASS 490.58736000000005
SMILES c(c12)(c(cc(c1C(C=C(c(c3)c(O)cc(c3)O)O2)=O)O)O)CC=C(C)CCC=C(C)CCC=C(C)C
M END
