Mol:FL3FF9NS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7189 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7189 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7189 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7189 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1626 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1626 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6063 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6063 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6063 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6063 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1626 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1626 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0500 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0500 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5063 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5063 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5063 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5063 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0500 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0500 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0500 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0500 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0624 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0624 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6293 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6293 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1963 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1963 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1963 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1963 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6293 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6293 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0624 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0624 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2962 1.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2962 1.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9350 1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9350 1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1963 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1963 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5991 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5991 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8846 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8846 -1.4198 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 |
| − | 6 18 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -6.7712 2.8850 | + | M SBV 1 24 -6.7712 2.8850 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9NS0006 | + | ID FL3FF9NS0006 |
| − | KNApSAcK_ID C00003996 | + | KNApSAcK_ID C00003996 |
| − | NAME 5-Methoxy-7,8-methylenedioxyflavone | + | NAME 5-Methoxy-7,8-methylenedioxyflavone |
| − | CAS_RN 70185-56-7 | + | CAS_RN 70185-56-7 |
| − | FORMULA C17H12O5 | + | FORMULA C17H12O5 |
| − | EXACTMASS 296.068473494 | + | EXACTMASS 296.068473494 |
| − | AVERAGEMASS 296.27418 | + | AVERAGEMASS 296.27418 |
| − | SMILES COc(c1)c(C(=O)4)c(OC(=C4)c(c3)cccc3)c(O2)c(OC2)1 | + | SMILES COc(c1)c(C(=O)4)c(OC(=C4)c(c3)cccc3)c(O2)c(OC2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.7189 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7189 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5063 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5063 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0624 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1963 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1963 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0624 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2962 1.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9350 1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1963 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5991 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8846 -1.4198 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
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -6.7712 2.8850
S SKP 8
ID FL3FF9NS0006
KNApSAcK_ID C00003996
NAME 5-Methoxy-7,8-methylenedioxyflavone
CAS_RN 70185-56-7
FORMULA C17H12O5
EXACTMASS 296.068473494
AVERAGEMASS 296.27418
SMILES COc(c1)c(C(=O)4)c(OC(=C4)c(c3)cccc3)c(O2)c(OC2)1
M END
