Mol:FL5F29NP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2341 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2341 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3456 -0.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3456 -0.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8536 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8536 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2499 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2499 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1384 -0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1384 -0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6305 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6305 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2421 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2421 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8458 -1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8458 -1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9573 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9573 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4652 -0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4652 -0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1552 -1.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1552 -1.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5607 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5607 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0622 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0622 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6774 -0.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6774 -0.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7911 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7911 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2896 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2896 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6744 0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6744 0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5189 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5189 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0110 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0110 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6146 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6146 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1065 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1065 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5031 1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5031 1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6118 -1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6118 -1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3778 -2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3778 -2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0334 -0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0334 -0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4014 -1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4014 -1.0341 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 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 -2.1159 -0.6216 | + | M SVB 2 29 -2.1159 -0.6216 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 1.0226 -0.9193 | + | M SVB 1 27 1.0226 -0.9193 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F29NP0001 | + | ID FL5F29NP0001 |
| − | KNApSAcK_ID C00005074 | + | KNApSAcK_ID C00005074 |
| − | NAME 3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone | + | NAME 3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone |
| − | CAS_RN 61755-75-7 | + | CAS_RN 61755-75-7 |
| − | FORMULA C22H20O5 | + | FORMULA C22H20O5 |
| − | EXACTMASS 364.13107375 | + | EXACTMASS 364.13107375 |
| − | AVERAGEMASS 364.3912 | + | AVERAGEMASS 364.3912 |
| − | SMILES c(c1)ccc(C(=C4OC)Oc(c(C4=O)3)c(C=2)c(c(OC)c3)OC(C2)(C)C)c1 | + | SMILES c(c1)ccc(C(=C4OC)Oc(c(C4=O)3)c(C=2)c(c(OC)c3)OC(C2)(C)C)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.2341 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3456 -0.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8536 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2499 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1384 -0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6305 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2421 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8458 -1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9573 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4652 -0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1552 -1.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5607 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0622 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 -0.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7911 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2896 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6744 0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5189 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0110 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6146 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1065 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5031 1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6118 -1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3778 -2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0334 -0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4014 -1.0341 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 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -2.1159 -0.6216
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.0226 -0.9193
S SKP 8
ID FL5F29NP0001
KNApSAcK_ID C00005074
NAME 3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
CAS_RN 61755-75-7
FORMULA C22H20O5
EXACTMASS 364.13107375
AVERAGEMASS 364.3912
SMILES c(c1)ccc(C(=C4OC)Oc(c(C4=O)3)c(C=2)c(c(OC)c3)OC(C2)(C)C)c1
M END
