Mol:FL2FGGNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1030 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0613 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0613 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0195 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0195 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0195 -0.1808 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0195 -0.1808 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 -1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5696 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5696 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4356 1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4356 1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3017 1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3017 1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5823 -2.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5823 -2.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5823 -3.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5823 -3.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3020 1.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3020 1.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7281 2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7281 2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4603 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4603 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9604 1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9604 1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9023 1.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9023 1.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8175 -0.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8175 -0.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8054 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8054 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4356 -0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4356 -0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3017 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3017 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 7 SUP | + | M STY 1 7 SUP |
| − | M SLB 1 7 7 | + | M SLB 1 7 7 |
| − | M SAL 7 2 30 31 | + | M SAL 7 2 30 31 |
| − | M SBL 7 1 32 | + | M SBL 7 1 32 |
| − | M SMT 7 OCH3 | + | M SMT 7 OCH3 |
| − | M SVB 7 32 1.7458 -0.0867 | + | M SVB 7 32 1.7458 -0.0867 |
| − | M STY 1 6 SUP | + | M STY 1 6 SUP |
| − | M SLB 1 6 6 | + | M SLB 1 6 6 |
| − | M SAL 6 2 28 29 | + | M SAL 6 2 28 29 |
| − | M SBL 6 1 30 | + | M SBL 6 1 30 |
| − | M SMT 6 OCH3 | + | M SMT 6 OCH3 |
| − | M SVB 6 30 -2.8175 -0.6702 | + | M SVB 6 30 -2.8175 -0.6702 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 26 27 | + | M SAL 5 2 26 27 |
| − | M SBL 5 1 28 | + | M SBL 5 1 28 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 28 -1.322 0.6826 | + | M SVB 5 28 -1.322 0.6826 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 24 25 | + | M SAL 4 2 24 25 |
| − | M SBL 4 1 26 | + | M SBL 4 1 26 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 26 -2.4603 0.4379 | + | M SVB 4 26 -2.4603 0.4379 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 1.302 1.6116 | + | M SVB 3 24 1.302 1.6116 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.0956 -1.1991 | + | M SVB 2 22 -2.0956 -1.1991 |
| − | 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 2.103 1.0446 | + | M SVB 1 20 2.103 1.0446 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FGGNS0002 | + | ID FL2FGGNS0002 |
| − | KNApSAcK_ID C00008417 | + | KNApSAcK_ID C00008417 |
| − | NAME 5,6,7,8,3',4',5'-Heptamethoxyflavanone | + | NAME 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| − | CAS_RN 119153-16-1 | + | CAS_RN 119153-16-1 |
| − | FORMULA C22H26O9 | + | FORMULA C22H26O9 |
| − | EXACTMASS 434.15768243 | + | EXACTMASS 434.15768243 |
| − | AVERAGEMASS 434.43644 | + | AVERAGEMASS 434.43644 |
| − | SMILES C(=O)(C1)c(c(OC)3)c(c(OC)c(OC)c(OC)3)OC(c(c2)cc(c(c(OC)2)OC)OC)1 | + | SMILES C(=O)(C1)c(c(OC)3)c(c(OC)c(OC)c(OC)3)OC(c(c2)cc(c(c(OC)2)OC)OC)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/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.1030 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -0.1808 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5404 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4356 1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3017 1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 -2.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 -3.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 1.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9604 1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9023 1.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8175 -0.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8054 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4356 -0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3017 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 7 SUP
M SLB 1 7 7
M SAL 7 2 30 31
M SBL 7 1 32
M SMT 7 OCH3
M SVB 7 32 1.7458 -0.0867
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 28 29
M SBL 6 1 30
M SMT 6 OCH3
M SVB 6 30 -2.8175 -0.6702
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 26 27
M SBL 5 1 28
M SMT 5 OCH3
M SVB 5 28 -1.322 0.6826
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -2.4603 0.4379
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 1.302 1.6116
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.0956 -1.1991
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 2.103 1.0446
S SKP 8
ID FL2FGGNS0002
KNApSAcK_ID C00008417
NAME 5,6,7,8,3',4',5'-Heptamethoxyflavanone
CAS_RN 119153-16-1
FORMULA C22H26O9
EXACTMASS 434.15768243
AVERAGEMASS 434.43644
SMILES C(=O)(C1)c(c(OC)3)c(c(OC)c(OC)c(OC)3)OC(c(c2)cc(c(c(OC)2)OC)OC)1
M END
