Mol:FL3FEANS0011
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 |
| − | -2.0592 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0592 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0592 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0592 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5029 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5029 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9466 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9466 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9466 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9466 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5029 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5029 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1660 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1660 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1660 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1660 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7221 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7221 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2891 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2891 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8561 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8561 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8561 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8561 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2891 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2891 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7221 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7221 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5029 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5029 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0590 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0590 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0590 -1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0590 -1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6151 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6151 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4164 1.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4164 1.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9163 2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9163 2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7737 1.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7737 1.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7737 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7737 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7470 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7470 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1148 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1148 -0.1650 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 |
| − | 3 18 1 0 0 0 0 | + | 3 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 21 2 0 0 0 0 | + | 20 21 2 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 |
| − | 15 24 1 0 0 0 0 | + | 15 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 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -2.7737 0.2425 | + | M SVB 3 28 -2.7737 0.2425 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 2.7737 1.4977 | + | M SVB 2 26 2.7737 1.4977 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.4164 1.4122 | + | M SVB 1 24 -2.4164 1.4122 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEANS0011 | + | ID FL3FEANS0011 |
| − | KNApSAcK_ID C00004022 | + | KNApSAcK_ID C00004022 |
| − | NAME 5-Allyloxysalvigenin | + | NAME 5-Allyloxysalvigenin |
| − | CAS_RN 87200-85-9 | + | CAS_RN 87200-85-9 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES COc(c3OC)cc(c2c(OCC=C)3)OC(=CC2=O)c(c1)ccc(OC)c1 | + | SMILES COc(c3OC)cc(c2c(OCC=C)3)OC(=CC2=O)c(c1)ccc(OC)c1 |
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
-2.0592 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0592 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1660 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1660 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8561 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8561 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0590 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0590 -1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6151 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4164 1.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9163 2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7737 1.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7737 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7470 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1148 -0.1650 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
3 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
15 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 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -2.7737 0.2425
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 2.7737 1.4977
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.4164 1.4122
S SKP 8
ID FL3FEANS0011
KNApSAcK_ID C00004022
NAME 5-Allyloxysalvigenin
CAS_RN 87200-85-9
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c3OC)cc(c2c(OCC=C)3)OC(=CC2=O)c(c1)ccc(OC)c1
M END
