Mol:FL3FEGNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.1557 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1557 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.5846 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5846 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.8702 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8702 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7022 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7022 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4167 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4167 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4167 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4167 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7022 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7022 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0123 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0123 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4412 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4412 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1311 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1311 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2991 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2991 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8702 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8702 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7022 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7022 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0123 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0123 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.5727 1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5727 1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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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| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
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| − | 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 |
| − | 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 19 29 1 0 0 0 0 | + | 19 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEGNI0001 | + | ID FL3FEGNI0001 |
| − | KNApSAcK_ID C00013424 | + | KNApSAcK_ID C00013424 |
| − | NAME 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one | + | NAME 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 194735-90-5 | + | CAS_RN 194735-90-5 |
| − | FORMULA C25H28O8 | + | FORMULA C25H28O8 |
| − | EXACTMASS 456.17841787199995 | + | EXACTMASS 456.17841787199995 |
| − | AVERAGEMASS 456.48502 | + | AVERAGEMASS 456.48502 |
| − | SMILES c(c21)c(OC)c(c(OC)c1C(C=C(c(c3)cc(c(OCC=C(C)C)c(OC)3)OC)O2)=O)OC | + | SMILES c(c21)c(OC)c(c(OC)c1C(C=C(c(c3)cc(c(OCC=C(C)C)c(OC)3)OC)O2)=O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-2.1557 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1557 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8702 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5846 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5846 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8702 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4412 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7268 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7268 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4412 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4167 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4167 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4412 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1311 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2991 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8702 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1311 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8456 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2979 -1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1557 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0100 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0136 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5727 1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2932 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0136 1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2932 0.1955 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
15 21 1 0 0 0 0
18 22 1 0 0 0 0
21 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
20 27 1 0 0 0 0
26 28 1 0 0 0 0
19 29 1 0 0 0 0
22 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
S SKP 8
ID FL3FEGNI0001
KNApSAcK_ID C00013424
NAME 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 194735-90-5
FORMULA C25H28O8
EXACTMASS 456.17841787199995
AVERAGEMASS 456.48502
SMILES c(c21)c(OC)c(c(OC)c1C(C=C(c(c3)cc(c(OCC=C(C)C)c(OC)3)OC)O2)=O)OC
M END
