Mol:FLNAFCNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2425 1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 1.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 1.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2425 0.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 0.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5997 1.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5997 1.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5521 -1.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5521 -1.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4081 2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4081 2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0285 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0285 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1630 0.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1630 0.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4485 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4485 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 1.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 1.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0996 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0996 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0084 -1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0084 -1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7229 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7229 -2.2037 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 10 21 1 0 0 0 0 | + | 10 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 0.0084 -1.7912 | + | M SVB 4 27 0.0084 -1.7912 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -1.5997 1.9283 | + | M SVB 3 25 -1.5997 1.9283 |
| − | 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 -1.163 0.2092 | + | M SVB 2 23 -1.163 0.2092 |
| − | 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 -0.4081 2.2037 | + | M SVB 1 21 -0.4081 2.2037 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAFCNS0004 | + | ID FLNAFCNS0004 |
| − | KNApSAcK_ID C00010233 | + | KNApSAcK_ID C00010233 |
| − | NAME 3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin | + | NAME 3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin |
| − | CAS_RN 131889-71-9 | + | CAS_RN 131889-71-9 |
| − | FORMULA C19H18O7 | + | FORMULA C19H18O7 |
| − | EXACTMASS 358.10525293 | + | EXACTMASS 358.10525293 |
| − | AVERAGEMASS 358.34202000000005 | + | AVERAGEMASS 358.34202000000005 |
| − | SMILES c(c1OC)(OC)cc(c(C(c(c3)cc(O)c(OC)c3)=2)c1OC(=O)C2)OC | + | SMILES c(c1OC)(OC)cc(c(C(c(c3)cc(O)c(OC)c3)=2)c1OC(=O)C2)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 0.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 -1.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4081 2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0285 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1630 0.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4485 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 1.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0996 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0084 -1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 -2.2037 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
15 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
10 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 0.0084 -1.7912
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -1.5997 1.9283
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 -1.163 0.2092
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 -0.4081 2.2037
S SKP 8
ID FLNAFCNS0004
KNApSAcK_ID C00010233
NAME 3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin
CAS_RN 131889-71-9
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES c(c1OC)(OC)cc(c(C(c(c3)cc(O)c(OC)c3)=2)c1OC(=O)C2)OC
M END
