Mol:FL5FFCNI0004
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 |
| − | -1.1871 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1871 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1871 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1871 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6308 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6308 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0745 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0745 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0745 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0745 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6308 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6308 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4818 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4818 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0381 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0381 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0381 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0381 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4818 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4818 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4818 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4818 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5942 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5942 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1612 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1612 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7281 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7281 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1612 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1612 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5942 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5942 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7432 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8972 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8972 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4533 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4533 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0094 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0094 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4533 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4533 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2981 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2981 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0672 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0672 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3528 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3528 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9041 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9041 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7701 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7701 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7281 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7281 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3528 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3528 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0837 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0837 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4446 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4446 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8860 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8860 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 32 33 | + | M SAL 5 2 32 33 |
| − | M SBL 5 1 34 | + | M SBL 5 1 34 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 34 2.4446 1.7079 | + | M SVB 5 34 2.4446 1.7079 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 30 31 | + | M SAL 4 2 30 31 |
| − | M SBL 4 1 32 | + | M SBL 4 1 32 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 32 -0.3528 0.7229 | + | M SVB 4 32 -0.3528 0.7229 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 30 | + | M SBL 3 1 30 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 30 3.295 1.1317 | + | M SVB 3 30 3.295 1.1317 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 1.2484 -0.9987 | + | M SVB 2 28 1.2484 -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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -1.0672 -1.2954 | + | M SVB 1 26 -1.0672 -1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNI0004 | + | ID FL5FFCNI0004 |
| − | KNApSAcK_ID C00005025 | + | KNApSAcK_ID C00005025 |
| − | NAME 3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone | + | NAME 3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone |
| − | CAS_RN 114371-87-8 | + | CAS_RN 114371-87-8 |
| − | FORMULA C25H28O8 | + | FORMULA C25H28O8 |
| − | EXACTMASS 456.17841787199995 | + | EXACTMASS 456.17841787199995 |
| − | AVERAGEMASS 456.48502 | + | AVERAGEMASS 456.48502 |
| − | SMILES O(c(c(OC)1)ccc(C(O3)=C(OC)C(=O)c(c23)c(cc(c2OC)OCC=C(C)C)OC)c1)C | + | SMILES O(c(c(OC)1)ccc(C(O3)=C(OC)C(=O)c(c23)c(cc(c2OC)OCC=C(C)C)OC)c1)C |
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
-1.1871 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1871 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6308 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0745 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0745 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6308 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4818 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0381 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0381 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4818 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4818 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1612 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1612 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8972 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4533 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0094 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4533 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2981 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3528 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9041 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7701 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7281 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3528 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0837 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4446 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8860 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
1 18 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
18 23 1 0 0 0 0
23 19 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
16 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 32 33
M SBL 5 1 34
M SMT 5 OCH3
M SVB 5 34 2.4446 1.7079
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 30 31
M SBL 4 1 32
M SMT 4 OCH3
M SVB 4 32 -0.3528 0.7229
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 30
M SMT 3 OCH3
M SVB 3 30 3.295 1.1317
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 1.2484 -0.9987
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -1.0672 -1.2954
S SKP 8
ID FL5FFCNI0004
KNApSAcK_ID C00005025
NAME 3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone
CAS_RN 114371-87-8
FORMULA C25H28O8
EXACTMASS 456.17841787199995
AVERAGEMASS 456.48502
SMILES O(c(c(OC)1)ccc(C(O3)=C(OC)C(=O)c(c23)c(cc(c2OC)OCC=C(C)C)OC)c1)C
M END
