Mol:FL5FDDNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2652 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2652 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6501 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6501 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6501 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6501 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2537 -0.4580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2537 -0.4580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8958 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2169 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2169 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2169 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2169 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8260 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8260 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6921 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6921 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3665 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3665 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8079 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8079 2.6397 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 31 2.3665 1.7424 | + | M SVB 2 31 2.3665 1.7424 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 1.1589 -0.9854 | + | M SVB 1 29 1.1589 -0.9854 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDDNF0001 | + | ID FL5FDDNF0001 |
| − | KNApSAcK_ID C00005102 | + | KNApSAcK_ID C00005102 |
| − | NAME Velloquercetin 3,3'-dimethyl ether | + | NAME Velloquercetin 3,3'-dimethyl ether |
| − | CAS_RN 139955-65-0 | + | CAS_RN 139955-65-0 |
| − | FORMULA C22H20O7 | + | FORMULA C22H20O7 |
| − | EXACTMASS 396.120902994 | + | EXACTMASS 396.120902994 |
| − | AVERAGEMASS 396.39 | + | AVERAGEMASS 396.39 |
| − | SMILES O=C(C(OC)=3)c(c(OC3c(c4)cc(OC)c(O)c4)1)c(O)c(C2)c(OC(C(C)=C)2)c1 | + | SMILES O=C(C(OC)=3)c(c(OC3c(c4)cc(OC)c(O)c4)1)c(O)c(C2)c(OC(C(C)=C)2)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.2652 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6501 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -0.4580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8761 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6921 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8079 2.6397 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
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 2.3665 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 1.1589 -0.9854
S SKP 8
ID FL5FDDNF0001
KNApSAcK_ID C00005102
NAME Velloquercetin 3,3'-dimethyl ether
CAS_RN 139955-65-0
FORMULA C22H20O7
EXACTMASS 396.120902994
AVERAGEMASS 396.39
SMILES O=C(C(OC)=3)c(c(OC3c(c4)cc(OC)c(O)c4)1)c(O)c(C2)c(OC(C(C)=C)2)c1
M END
