Mol:FL5FA9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6027 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6018 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6018 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6018 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6018 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3991 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3991 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3991 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3991 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8992 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8992 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9599 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9599 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9599 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9599 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8992 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8992 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2651 -0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2651 -0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1312 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1312 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5666 -0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5666 -0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8522 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8522 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9599 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9599 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4598 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4598 1.6032 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 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 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 -1.9599 0.7371 | + | M SVB 3 24 -1.9599 0.7371 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -1.5666 -0.8929 | + | M SVB 2 22 -1.5666 -0.8929 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 0.542 -0.6658 | + | M SVB 1 20 0.542 -0.6658 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9NS0001 | + | ID FL5FA9NS0001 |
| − | KNApSAcK_ID C00001042 | + | KNApSAcK_ID C00001042 |
| − | NAME Galangin 3,5,7-trimethyl ether;Galangin trimethyl ether;3,5,7-trimethoxyflavone | + | NAME Galangin 3,5,7-trimethyl ether;Galangin trimethyl ether;3,5,7-trimethoxyflavone |
| − | CAS_RN 26964-29-4 | + | CAS_RN 26964-29-4 |
| − | FORMULA C18H16O5 | + | FORMULA C18H16O5 |
| − | EXACTMASS 312.099773622 | + | EXACTMASS 312.099773622 |
| − | AVERAGEMASS 312.31664 | + | AVERAGEMASS 312.31664 |
| − | SMILES c(C(O2)=C(C(c(c(OC)3)c2cc(OC)c3)=O)OC)(c1)cccc1 | + | SMILES c(C(O2)=C(C(c(c(OC)3)c2cc(OC)c3)=O)OC)(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.6027 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2651 -0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1312 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5666 -0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9599 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4598 1.6032 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
9 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
8 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -1.9599 0.7371
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -1.5666 -0.8929
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 0.542 -0.6658
S SKP 8
ID FL5FA9NS0001
KNApSAcK_ID C00001042
NAME Galangin 3,5,7-trimethyl ether;Galangin trimethyl ether;3,5,7-trimethoxyflavone
CAS_RN 26964-29-4
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES c(C(O2)=C(C(c(c(OC)3)c2cc(OC)c3)=O)OC)(c1)cccc1
M END
