Mol:FL3FEAGS0041
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.2018 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2018 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8363 1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8363 1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8363 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8363 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2018 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2018 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5672 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5672 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5672 1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5672 1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3294 2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3294 2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9200 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9200 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2731 1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2731 1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6262 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6262 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6262 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6262 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2731 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2731 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9200 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9200 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0303 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0303 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6869 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6869 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6869 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6869 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0303 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0303 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2731 -0.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2731 -0.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1353 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1353 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0303 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0303 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8217 -1.5533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.8217 -1.5533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0970 -1.9475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0970 -1.9475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5253 -1.3526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5253 -1.3526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7304 -1.1320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7304 -1.1320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4551 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4551 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0268 -1.3326 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0268 -1.3326 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.1213 -1.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1213 -1.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8183 -2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8183 -2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3294 -2.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3294 -2.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2206 -0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2206 -0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1769 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1769 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3770 0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3770 0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7894 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7894 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 8 2 0 0 0 0 | + | 13 8 2 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 12 18 2 0 0 0 0 | + | 12 18 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 33 -3.2206 -0.4928 | + | M SVB 2 33 -3.2206 -0.4928 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 -1.0441 1.2493 | + | M SVB 1 35 -1.0441 1.2493 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0041 | + | ID FL3FEAGS0041 |
| − | KNApSAcK_ID C00010276 | + | KNApSAcK_ID C00010276 |
| − | NAME Scutellarein 7-methyl ether 6-glucoside | + | NAME Scutellarein 7-methyl ether 6-glucoside |
| − | CAS_RN 89647-63-2 | + | CAS_RN 89647-63-2 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES O[C@@H]([C@H]1O)[C@H](Oc(c4O)c(OC)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)OC(CO)[C@@H]1O | + | SMILES O[C@@H]([C@H]1O)[C@H](Oc(c4O)c(OC)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)OC(CO)[C@@H]1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
3.2018 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8363 1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8363 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5672 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5672 1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3294 2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9200 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2731 1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6262 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6262 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2731 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9200 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0303 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0303 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2731 -0.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1353 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0303 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8217 -1.5533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0970 -1.9475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5253 -1.3526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7304 -1.1320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4551 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0268 -1.3326 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1213 -1.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8183 -2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3294 -2.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2206 -0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1769 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3770 0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7894 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 8 2 0 0 0 0
10 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 11 1 0 0 0 0
12 18 2 0 0 0 0
16 19 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
19 24 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
15 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 CH2OH
M SVB 2 33 -3.2206 -0.4928
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 -1.0441 1.2493
S SKP 8
ID FL3FEAGS0041
KNApSAcK_ID C00010276
NAME Scutellarein 7-methyl ether 6-glucoside
CAS_RN 89647-63-2
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O[C@@H]([C@H]1O)[C@H](Oc(c4O)c(OC)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)OC(CO)[C@@H]1O
M END
