Mol:FL3F3GNS0003
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4197 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3616 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3616 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2277 1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2277 1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 0.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 0.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1487 1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1487 1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2769 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2769 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3616 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3616 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2276 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2276 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2120 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2120 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6534 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6534 2.5691 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 |
| − | 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 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 1.212 1.6718 | + | M SVB 5 28 1.212 1.6718 |
| − | 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 1.7052 -0.0926 | + | M SVB 4 26 1.7052 -0.0926 |
| − | 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 -2.7769 0.4113 | + | M SVB 3 24 -2.7769 0.4113 |
| − | 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 -1.5853 0.6868 | + | M SVB 2 22 -1.5853 0.6868 |
| − | 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 2.0624 1.0956 | + | M SVB 1 20 2.0624 1.0956 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F3GNS0003 | + | ID FL3F3GNS0003 |
| − | KNApSAcK_ID C00004079 | + | KNApSAcK_ID C00004079 |
| − | NAME 7,8,3',4',5'-Pentamethoxyflavone | + | NAME 7,8,3',4',5'-Pentamethoxyflavone |
| − | CAS_RN 133342-97-9 | + | CAS_RN 133342-97-9 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES COc(c1OC)c(cc(C(=C2)Oc(c3OC)c(ccc3OC)C(=O)2)c1)OC | + | SMILES COc(c1OC)c(cc(C(=C2)Oc(c3OC)c(ccc3OC)C(=O)2)c1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3616 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2277 1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1487 1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3616 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2276 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2120 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 2.5691 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
15 18 1 0 0 0 0
18 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
16 26 1 0 0 0 0
26 27 1 0 0 0 0
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 1.212 1.6718
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 1.7052 -0.0926
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 -2.7769 0.4113
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 -1.5853 0.6868
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 2.0624 1.0956
S SKP 8
ID FL3F3GNS0003
KNApSAcK_ID C00004079
NAME 7,8,3',4',5'-Pentamethoxyflavone
CAS_RN 133342-97-9
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES COc(c1OC)c(cc(C(=C2)Oc(c3OC)c(ccc3OC)C(=O)2)c1)OC
M END
