Mol:FL5FGGNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4388 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4388 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9950 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9950 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9951 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9951 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4387 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4387 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8825 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8825 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8825 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8825 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4388 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4388 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8824 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8824 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3262 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3262 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3262 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3262 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8725 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8725 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -3.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -3.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7969 -3.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7969 -3.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3639 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3639 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3638 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3638 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7969 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7969 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5511 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5511 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7968 -4.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7968 -4.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9306 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9306 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9306 -3.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9306 -3.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9307 -4.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9307 -4.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8824 -3.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8824 -3.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8824 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8824 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0815 -0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0815 -0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5816 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5816 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1535 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1535 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2966 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2472 -0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2472 -0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7502 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7502 -0.9070 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 29 30 | + | M SAL 5 2 29 30 |
| − | M SBL 5 1 31 | + | M SBL 5 1 31 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 31 -1.4067 0.7182 | + | M SVB 5 31 -1.4067 0.7182 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 27 28 | + | M SAL 4 2 27 28 |
| − | M SBL 4 1 29 | + | M SBL 4 1 29 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 29 -2.9555 -0.7269 | + | M SVB 4 29 -2.9555 -0.7269 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -2.5983 0.4428 | + | M SVB 3 27 -2.5983 0.4428 |
| − | 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 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 0.183 -1.0246 | + | M SVB 2 25 0.183 -1.0246 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 2.241 1.127 | + | M SVB 1 23 2.241 1.127 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGGNS0005 | + | ID FL5FGGNS0005 |
| − | KNApSAcK_ID C00004862 | + | KNApSAcK_ID C00004862 |
| − | NAME 5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone | + | NAME 5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone |
| − | CAS_RN 78516-77-5 | + | CAS_RN 78516-77-5 |
| − | FORMULA C20H20O10 | + | FORMULA C20H20O10 |
| − | EXACTMASS 420.10564686 | + | EXACTMASS 420.10564686 |
| − | AVERAGEMASS 420.3668 | + | AVERAGEMASS 420.3668 |
| − | SMILES O(C)c(c31)c(c(c(c1C(C(OC)=C(O3)c(c2)cc(O)c(c(O)2)OC)=O)O)OC)OC | + | SMILES O(C)c(c31)c(c(c(c1C(C(OC)=C(O3)c(c2)cc(O)c(c(O)2)OC)=O)O)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.4388 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9950 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9951 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4387 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -3.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -3.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3639 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3638 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5511 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7968 -4.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 -3.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9307 -4.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -3.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 -0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5816 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 -0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7502 -0.9070 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
14 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 29 30
M SBL 5 1 31
M SMT 5 OCH3
M SVB 5 31 -1.4067 0.7182
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 29
M SMT 4 OCH3
M SVB 4 29 -2.9555 -0.7269
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.5983 0.4428
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.183 -1.0246
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.241 1.127
S SKP 8
ID FL5FGGNS0005
KNApSAcK_ID C00004862
NAME 5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
CAS_RN 78516-77-5
FORMULA C20H20O10
EXACTMASS 420.10564686
AVERAGEMASS 420.3668
SMILES O(C)c(c31)c(c(c(c1C(C(OC)=C(O3)c(c2)cc(O)c(c(O)2)OC)=O)O)OC)OC
M END
