Mol:FL3FALNI0014
From Metabolomics.JP
(Difference between revisions)
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| − | 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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| − | 2.5018 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5018 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.4995 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4995 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0729 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0729 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
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| − | 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 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0014 | + | ID FL3FALNI0014 |
| − | KNApSAcK_ID C00013413 | + | KNApSAcK_ID C00013413 |
| − | NAME Artocommunol CD;2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Artocommunol CD;2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 502627-56-7 | + | CAS_RN 502627-56-7 |
| − | FORMULA C30H34O6 | + | FORMULA C30H34O6 |
| − | EXACTMASS 490.23553882 | + | EXACTMASS 490.23553882 |
| − | AVERAGEMASS 490.58736000000005 | + | AVERAGEMASS 490.58736000000005 |
| − | SMILES c(c(O)3)c(c(c1c(CC=C(C)C)3)C(=O)C(=C(c(c2)c(cc(c2)O)O)O1)CC=C(C)CCC=C(C)C)O | + | SMILES c(c(O)3)c(c(c1c(CC=C(C)C)3)C(=O)C(=C(c(c2)c(cc(c2)O)O)O1)CC=C(C)CCC=C(C)C)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/
36 38 0 0 0 0 0 0 0 0999 V2000
-1.7850 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4995 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2139 0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2139 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4995 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3584 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3584 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5018 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9284 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4995 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3584 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3584 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 -2.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4995 2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2127 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2127 3.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9248 3.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 3.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 -2.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5018 -2.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9284 -2.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -3.7084 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
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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
12 21 1 0 0 0 0
8 22 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
24 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
25 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL3FALNI0014
KNApSAcK_ID C00013413
NAME Artocommunol CD;2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 502627-56-7
FORMULA C30H34O6
EXACTMASS 490.23553882
AVERAGEMASS 490.58736000000005
SMILES c(c(O)3)c(c(c1c(CC=C(C)C)3)C(=O)C(=C(c(c2)c(cc(c2)O)O)O1)CC=C(C)CCC=C(C)C)O
M END
