Mol:FL5FGCNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0464 -0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0464 -0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0560 0.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0560 0.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6436 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6436 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3696 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3696 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3788 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3788 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6536 0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6536 0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7852 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7852 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0933 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0933 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7469 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7469 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4751 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4751 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4728 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4728 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7713 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7713 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5343 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5343 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5253 1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5253 1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8105 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8105 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1249 1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1249 1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7713 -1.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7713 -1.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6436 -1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6436 -1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0841 -0.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0841 -0.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1895 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1895 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9023 0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9023 0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7469 1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7469 1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1872 -0.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1872 -0.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9007 -0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9007 -0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3470 0.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3470 0.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8403 1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8403 1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3470 1.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3470 1.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7062 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7062 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4857 -2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4857 -2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5714 0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5714 0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2216 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2216 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8403 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8403 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2216 -0.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2216 -0.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4613 2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4613 2.0619 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 11 23 1 0 0 0 0 | + | 11 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 27 14 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 17 29 1 0 0 0 0 | + | 17 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 22 34 1 0 0 0 0 | + | 22 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNI0001 | + | ID FL5FGCNI0001 |
| − | KNApSAcK_ID C00013531 | + | KNApSAcK_ID C00013531 |
| − | NAME 2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one | + | NAME 2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 244260-17-1 | + | CAS_RN 244260-17-1 |
| − | FORMULA C25H26O9 | + | FORMULA C25H26O9 |
| − | EXACTMASS 470.15768243 | + | EXACTMASS 470.15768243 |
| − | AVERAGEMASS 470.46853999999996 | + | AVERAGEMASS 470.46853999999996 |
| − | SMILES O(c14)COc1cc(cc4)C(=C3OC)Oc(c(OC)2)c(C(=O)3)c(c(OC)c(OCC=C(C)C)2)OC | + | SMILES O(c14)COc1cc(cc4)C(=C3OC)Oc(c(OC)2)c(C(=O)3)c(c(OC)c(OCC=C(C)C)2)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.0464 -0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0560 0.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6436 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3696 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3788 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6536 0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4751 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4728 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7713 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5343 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5253 1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8105 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1249 1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7713 -1.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6436 -1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0841 -0.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1895 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9023 0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1872 -0.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9007 -0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3470 0.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8403 1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3470 1.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7062 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4857 -2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5714 0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2216 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8403 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2216 -0.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4613 2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
20 21 1 0 0 0 0
9 22 1 0 0 0 0
11 23 1 0 0 0 0
23 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 14 1 0 0 0 0
19 28 1 0 0 0 0
17 29 1 0 0 0 0
21 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
22 34 1 0 0 0 0
S SKP 8
ID FL5FGCNI0001
KNApSAcK_ID C00013531
NAME 2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
CAS_RN 244260-17-1
FORMULA C25H26O9
EXACTMASS 470.15768243
AVERAGEMASS 470.46853999999996
SMILES O(c14)COc1cc(cc4)C(=C3OC)Oc(c(OC)2)c(C(=O)3)c(c(OC)c(OCC=C(C)C)2)OC
M END
