Mol:FL5FDDNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8250 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8250 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8250 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8250 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2687 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2687 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2876 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2876 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2876 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2876 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2687 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2687 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4002 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4002 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9563 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9563 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5232 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5232 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0902 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0902 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0902 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0902 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5232 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5232 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9563 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9563 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3819 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3819 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0902 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0902 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5195 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5195 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1008 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1008 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6570 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6570 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1260 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1260 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7052 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7052 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0093 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0093 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2662 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2662 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1322 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1322 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8066 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8066 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2480 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2480 2.6052 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 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 29 30 | + | M SAL 3 2 29 30 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 31 2.8066 1.7079 | + | M SVB 3 31 2.8066 1.7079 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 1.6104 -0.9987 | + | M SVB 2 29 1.6104 -0.9987 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -0.7052 -1.2954 | + | M SVB 1 27 -0.7052 -1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDDNI0004 | + | ID FL5FDDNI0004 |
| − | KNApSAcK_ID C00005009 | + | KNApSAcK_ID C00005009 |
| − | NAME 4'-Hydroxy-3,5,3'-trimethoxy-7-prenyloxyflavone | + | NAME 4'-Hydroxy-3,5,3'-trimethoxy-7-prenyloxyflavone |
| − | CAS_RN 114371-86-7 | + | CAS_RN 114371-86-7 |
| − | FORMULA C23H24O7 | + | FORMULA C23H24O7 |
| − | EXACTMASS 412.152203122 | + | EXACTMASS 412.152203122 |
| − | AVERAGEMASS 412.43246 | + | AVERAGEMASS 412.43246 |
| − | SMILES O(C)C(C2=O)=C(Oc(c3)c2c(OC)cc3OCC=C(C)C)c(c1)cc(OC)c(O)c1 | + | SMILES O(C)C(C2=O)=C(Oc(c3)c2c(OC)cc3OCC=C(C)C)c(c1)cc(OC)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.8250 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8250 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2687 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2876 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2876 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2687 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4002 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4002 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9563 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5232 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5232 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9563 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3819 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0902 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1008 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6570 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1260 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7052 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0093 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2662 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1322 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8066 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2480 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 1 1 0 0 0 0
15 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 2.8066 1.7079
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 1.6104 -0.9987
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -0.7052 -1.2954
S SKP 8
ID FL5FDDNI0004
KNApSAcK_ID C00005009
NAME 4'-Hydroxy-3,5,3'-trimethoxy-7-prenyloxyflavone
CAS_RN 114371-86-7
FORMULA C23H24O7
EXACTMASS 412.152203122
AVERAGEMASS 412.43246
SMILES O(C)C(C2=O)=C(Oc(c3)c2c(OC)cc3OCC=C(C)C)c(c1)cc(OC)c(O)c1
M END
