Mol:FLNADCNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2425 1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 1.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 1.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2423 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2423 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -1.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -1.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5997 1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5997 1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5794 -2.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5794 -2.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2144 -2.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2144 -2.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4740 -1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4740 -1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 2.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 2.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0997 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0997 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1184 0.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1184 0.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4039 -0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4039 -0.0317 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 10 23 1 0 0 0 0 | + | 10 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -1.1184 0.3808 | + | M SVB 2 26 -1.1184 0.3808 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.5997 2.1256 | + | M SVB 1 24 -1.5997 2.1256 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNADCNS0002 | + | ID FLNADCNS0002 |
| − | KNApSAcK_ID C00010206 | + | KNApSAcK_ID C00010206 |
| − | NAME 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin | + | NAME 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin |
| − | CAS_RN 94345-23-0 | + | CAS_RN 94345-23-0 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES c(c41)(OCO4)ccc(C(c32)=CC(=O)Oc2cc(OC)cc3OC)c1 | + | SMILES c(c41)(OCO4)ccc(C(c32)=CC(=O)Oc2cc(OC)cc3OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5794 -2.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2144 -2.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 2.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1184 0.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4039 -0.0317 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
10 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.1184 0.3808
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.5997 2.1256
S SKP 8
ID FLNADCNS0002
KNApSAcK_ID C00010206
NAME 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
CAS_RN 94345-23-0
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c41)(OCO4)ccc(C(c32)=CC(=O)Oc2cc(OC)cc3OC)c1
M END
