Mol:FLII9CNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4612 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7905 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7905 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1039 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1039 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3757 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3757 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2418 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2418 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 9 2 0 0 0 0 | + | 14 9 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 15 1 0 0 0 0 | + | 7 15 1 0 0 0 0 |
| − | 10 15 1 0 0 0 0 | + | 10 15 1 0 0 0 0 |
| − | 13 16 1 0 0 0 0 | + | 13 16 1 0 0 0 0 |
| − | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 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 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 1.7467 -0.8826 | + | M SVB 1 20 1.7467 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII9CNM0001 | + | ID FLII9CNM0001 |
| − | KNApSAcK_ID C00009800 | + | KNApSAcK_ID C00009800 |
| − | NAME Parvifuran;5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran | + | NAME Parvifuran;5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran |
| − | CAS_RN 69470-93-5 | + | CAS_RN 69470-93-5 |
| − | FORMULA C16H14O3 | + | FORMULA C16H14O3 |
| − | EXACTMASS 254.094294314 | + | EXACTMASS 254.094294314 |
| − | AVERAGEMASS 254.28056 | + | AVERAGEMASS 254.28056 |
| − | SMILES COc(c1)c(O)cc(c(C)2)c1oc(c(c3)cccc3)2 | + | SMILES COc(c1)c(O)cc(c(C)2)c1oc(c(c3)cccc3)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-2.4612 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7905 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 9 2 0 0 0 0
1 2 1 0 0 0 0
7 15 1 0 0 0 0
10 15 1 0 0 0 0
13 16 1 0 0 0 0
8 17 1 0 0 0 0
12 18 1 0 0 0 0
18 19 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 1.7467 -0.8826
S SKP 8
ID FLII9CNM0001
KNApSAcK_ID C00009800
NAME Parvifuran;5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran
CAS_RN 69470-93-5
FORMULA C16H14O3
EXACTMASS 254.094294314
AVERAGEMASS 254.28056
SMILES COc(c1)c(O)cc(c(C)2)c1oc(c(c3)cccc3)2
M END
