Mol:FL3FE9GS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.3659 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3659 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3659 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3659 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8170 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8170 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2681 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2681 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2681 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2681 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8170 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8170 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7191 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7191 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1702 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1702 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1702 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1702 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7191 0.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7191 0.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7191 -1.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7191 -1.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6211 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6211 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0808 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0808 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5405 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5405 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5405 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5405 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0808 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0808 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6211 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6211 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0953 0.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0953 0.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8267 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8267 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3111 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3111 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5686 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5686 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8522 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8522 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3728 0.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3728 0.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0224 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0224 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5405 -0.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5405 -0.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1149 -0.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1149 -0.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1432 -0.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1432 -0.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6601 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6601 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0247 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0247 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1199 -0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1199 -0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3276 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3276 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0421 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0421 -1.1901 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -7.5401 5.9331 | + | M SBV 1 34 -7.5401 5.9331 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FE9GS0010 | + | ID FL3FE9GS0010 |
| − | KNApSAcK_ID C00004482 | + | KNApSAcK_ID C00004482 |
| − | NAME 6,7-Dihydroxy-5-methoxyflavone 7-glucoside | + | NAME 6,7-Dihydroxy-5-methoxyflavone 7-glucoside |
| − | CAS_RN 150036-31-0 | + | CAS_RN 150036-31-0 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES O(C)c(c(O)3)c(c(cc3OC(C(O)4)OC(CO)C(C4O)O)2)C(=O)C=C(O2)c(c1)cccc1 | + | SMILES O(C)c(c(O)3)c(c(cc3OC(C(O)4)OC(CO)C(C4O)O)2)C(=O)C=C(O2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
0.3659 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3659 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1702 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1702 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 0.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 -1.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6211 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0808 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5405 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5405 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0808 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6211 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 0.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8267 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5686 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3728 0.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0224 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5405 -0.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1432 -0.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6601 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0247 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1199 -0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3276 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -1.1901 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
18 1 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
2 30 1 0 0 0 0
3 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -7.5401 5.9331
S SKP 8
ID FL3FE9GS0010
KNApSAcK_ID C00004482
NAME 6,7-Dihydroxy-5-methoxyflavone 7-glucoside
CAS_RN 150036-31-0
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES O(C)c(c(O)3)c(c(cc3OC(C(O)4)OC(CO)C(C4O)O)2)C(=O)C=C(O2)c(c1)cccc1
M END
