Mol:FL5FFCNS0031
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1833 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1833 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0707 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0707 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1650 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7319 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7319 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1650 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3546 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3546 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7394 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7394 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3546 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3546 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7394 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7394 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0634 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0634 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3490 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3490 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9079 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9079 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7740 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7740 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3490 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3490 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9126 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9126 1.9107 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 29 | + | M SBL 3 1 29 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 29 -1.349 1.011 | + | M SVB 3 29 -1.349 1.011 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 0.2522 -0.7106 | + | M SVB 2 27 0.2522 -0.7106 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.0634 -1.0073 | + | M SVB 1 25 -2.0634 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNS0031 | + | ID FL5FFCNS0031 |
| − | KNApSAcK_ID C00005058 | + | KNApSAcK_ID C00005058 |
| − | NAME 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxy-4H-1-benzopyran-4-one | + | NAME 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 7741-42-6 | + | CAS_RN 7741-42-6 |
| − | FORMULA C19H16O8 | + | FORMULA C19H16O8 |
| − | EXACTMASS 372.08451748799996 | + | EXACTMASS 372.08451748799996 |
| − | AVERAGEMASS 372.32554 | + | AVERAGEMASS 372.32554 |
| − | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2c(c(O)c3)OC)=O)OC)c1 | + | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2c(c(O)c3)OC)=O)OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.1833 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1833 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7394 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0634 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3490 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9079 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7740 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3490 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9126 1.9107 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 -1.349 1.011
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 0.2522 -0.7106
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.0634 -1.0073
S SKP 8
ID FL5FFCNS0031
KNApSAcK_ID C00005058
NAME 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 7741-42-6
FORMULA C19H16O8
EXACTMASS 372.08451748799996
AVERAGEMASS 372.32554
SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2c(c(O)c3)OC)=O)OC)c1
M END
