Mol:FL5FGANS0004
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 |
| − | -0.9798 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9798 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6197 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6197 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8912 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8912 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5228 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5228 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8828 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8828 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6113 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6113 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7943 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7943 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4258 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4258 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7858 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7858 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2932 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2932 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4176 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4176 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6942 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6942 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3188 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3188 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3334 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3334 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6102 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6102 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2346 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2346 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6971 -3.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6971 -3.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5309 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5309 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7089 -5.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7089 -5.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0163 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0163 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9180 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9180 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3946 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3946 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4246 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4246 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4663 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4663 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -0.8071 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 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 -0.3996 | + | M SVB 3 27 -2.5983 -0.3996 |
| − | 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 -2.241 0.77 | + | M SVB 2 25 -2.241 0.77 |
| − | 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 -1.0494 1.0455 | + | M SVB 1 23 -1.0494 1.0455 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGANS0004 | + | ID FL5FGANS0004 |
| − | KNApSAcK_ID C00004669 | + | KNApSAcK_ID C00004669 |
| − | NAME 3,5,4'-Trihydroxy-6,7,8-trimethoxyflavone | + | NAME 3,5,4'-Trihydroxy-6,7,8-trimethoxyflavone |
| − | CAS_RN 102487-40-1 | + | CAS_RN 102487-40-1 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)ccc(O)c1 | + | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)ccc(O)c1 |
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
-0.9798 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6197 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8912 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5228 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8828 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6113 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7943 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4258 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7858 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2932 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4176 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3188 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3334 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6102 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2346 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6971 -3.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5309 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 -5.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0163 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3946 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4246 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4663 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -0.8071 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
6 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
2 25 1 0 0 0 0
25 26 1 0 0 0 0
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 -0.3996
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 -2.241 0.77
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 -1.0494 1.0455
S SKP 8
ID FL5FGANS0004
KNApSAcK_ID C00004669
NAME 3,5,4'-Trihydroxy-6,7,8-trimethoxyflavone
CAS_RN 102487-40-1
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)ccc(O)c1
M END
