Mol:FL2F1ANM0001
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0950 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6775 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6775 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1775 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1775 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 0.9926 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 2.1618 1.4051 | + | M SVB 2 23 2.1618 1.4051 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.6775 0.7209 | + | M SVB 1 21 -2.6775 0.7209 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANM0001 | + | ID FL2F1ANM0001 |
| − | KNApSAcK_ID C00008199 | + | KNApSAcK_ID C00008199 |
| − | NAME 7,4'-Dimethoxy-6-C-methylflavanone | + | NAME 7,4'-Dimethoxy-6-C-methylflavanone |
| − | CAS_RN 88795-40-8 | + | CAS_RN 88795-40-8 |
| − | FORMULA C18H18O4 | + | FORMULA C18H18O4 |
| − | EXACTMASS 298.120509064 | + | EXACTMASS 298.120509064 |
| − | AVERAGEMASS 298.33312 | + | AVERAGEMASS 298.33312 |
| − | SMILES C(c12)(=O)CC(c(c3)ccc(OC)c3)Oc1cc(OC)c(C)c2 | + | SMILES C(c12)(=O)CC(c(c3)ccc(OC)c3)Oc1cc(OC)c(C)c2 |
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 24 0 0 0 0 0 0 0 0999 V2000
-2.3202 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6513 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1775 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.9926 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 2.1618 1.4051
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.6775 0.7209
S SKP 8
ID FL2F1ANM0001
KNApSAcK_ID C00008199
NAME 7,4'-Dimethoxy-6-C-methylflavanone
CAS_RN 88795-40-8
FORMULA C18H18O4
EXACTMASS 298.120509064
AVERAGEMASS 298.33312
SMILES C(c12)(=O)CC(c(c3)ccc(OC)c3)Oc1cc(OC)c(C)c2
M END
