Mol:FL5FFCNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8299 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8299 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8299 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8299 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2736 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2736 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2827 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2827 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2827 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2827 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2736 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2736 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8390 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8390 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3953 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3953 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3953 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3953 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8390 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8390 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8390 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8390 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9514 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9514 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5184 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5184 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0854 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0854 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0854 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0854 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5184 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5184 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9514 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9514 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0854 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0854 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3860 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3860 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5400 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5400 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0961 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0961 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6522 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6522 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0961 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0961 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9409 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9409 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2613 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2613 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1273 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1273 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0045 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0045 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4411 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4411 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8018 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8018 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2432 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2432 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7100 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7100 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0045 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0045 -1.7079 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 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 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 31 32 | + | M SAL 4 2 31 32 |
| − | M SBL 4 1 33 | + | M SBL 4 1 33 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 33 -0.71 -1.2954 | + | M SVB 4 33 -0.71 -1.2954 |
| − | 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 2.8018 1.7079 | + | M SVB 3 31 2.8018 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 0.0045 0.7229 | + | M SVB 2 29 0.0045 0.7229 |
| − | 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 1.6056 -0.9987 | + | M SVB 1 27 1.6056 -0.9987 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNI0003 | + | ID FL5FFCNI0003 |
| − | KNApSAcK_ID C00005024 | + | KNApSAcK_ID C00005024 |
| − | NAME 4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone | + | NAME 4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone |
| − | CAS_RN 132537-16-7 | + | CAS_RN 132537-16-7 |
| − | FORMULA C24H26O8 | + | FORMULA C24H26O8 |
| − | EXACTMASS 442.162767808 | + | EXACTMASS 442.162767808 |
| − | AVERAGEMASS 442.45844 | + | AVERAGEMASS 442.45844 |
| − | SMILES C(O2)(c(c3)ccc(O)c(OC)3)=C(OC)C(=O)c(c12)c(cc(c1OC)OCC=C(C)C)OC | + | SMILES C(O2)(c(c3)ccc(O)c(OC)3)=C(OC)C(=O)c(c12)c(cc(c1OC)OCC=C(C)C)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/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.8299 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8299 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2827 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2827 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9514 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0854 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0854 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9514 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3860 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5400 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0961 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6522 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0961 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9409 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2613 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1273 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0045 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4411 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8018 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2432 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7100 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0045 -1.7079 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
19 24 1 0 0 0 0
24 20 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
6 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
3 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 31 32
M SBL 4 1 33
M SMT 4 OCH3
M SVB 4 33 -0.71 -1.2954
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 2.8018 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 0.0045 0.7229
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 1.6056 -0.9987
S SKP 8
ID FL5FFCNI0003
KNApSAcK_ID C00005024
NAME 4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
CAS_RN 132537-16-7
FORMULA C24H26O8
EXACTMASS 442.162767808
AVERAGEMASS 442.45844
SMILES C(O2)(c(c3)ccc(O)c(OC)3)=C(OC)C(=O)c(c12)c(cc(c1OC)OCC=C(C)C)OC
M END
