Mol:FL3FEAGS0041
From Metabolomics.JP
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
