Mol:FL4DA9NI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8118 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8118 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2300 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2300 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2300 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2300 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8118 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8118 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7509 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7509 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2718 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2718 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2718 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2718 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7509 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7509 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7509 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7509 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3185 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3185 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7148 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7148 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8515 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8515 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3802 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3802 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9089 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9089 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9089 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9089 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3802 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3802 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8515 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8515 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1796 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1796 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1796 -1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1796 -1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7237 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7237 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3321 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3321 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8740 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8740 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3959 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3959 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3959 -1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3959 -1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9089 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9089 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 8 14 1 1 0 0 0 | + | 8 14 1 1 0 0 0 |
| − | 9 15 1 6 0 0 0 | + | 9 15 1 6 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NI0005 | + | ID FL4DA9NI0005 |
| − | KNApSAcK_ID C00008749 | + | KNApSAcK_ID C00008749 |
| − | NAME 3,5,7-Trihydroxy-6-prenylflavanone 3-acetate | + | NAME 3,5,7-Trihydroxy-6-prenylflavanone 3-acetate |
| − | CAS_RN 89648-70-4 | + | CAS_RN 89648-70-4 |
| − | FORMULA C22H22O6 | + | FORMULA C22H22O6 |
| − | EXACTMASS 382.141638436 | + | EXACTMASS 382.141638436 |
| − | AVERAGEMASS 382.40648000000004 | + | AVERAGEMASS 382.40648000000004 |
| − | SMILES C(=O)(c23)C(C(Oc2cc(O)c(CC=C(C)C)c3O)c(c1)cccc1)OC(C)=O | + | SMILES C(=O)(c23)C(C(Oc2cc(O)c(CC=C(C)C)c3O)c(c1)cccc1)OC(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/
28 30 0 0 0 0 0 0 0 0999 V2000
-0.8118 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2300 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2300 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8118 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7509 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2718 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2718 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7509 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7509 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3185 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7148 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3802 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9089 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9089 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3802 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1796 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1796 -1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7237 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3321 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8740 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 -1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9089 -0.1995 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
8 14 1 1 0 0 0
9 15 1 6 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
S SKP 8
ID FL4DA9NI0005
KNApSAcK_ID C00008749
NAME 3,5,7-Trihydroxy-6-prenylflavanone 3-acetate
CAS_RN 89648-70-4
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES C(=O)(c23)C(C(Oc2cc(O)c(CC=C(C)C)c3O)c(c1)cccc1)OC(C)=O
M END
