Mol:FL3FECGS0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-3.0012 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0012 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5502 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0991 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0991 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5502 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6480 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6480 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6480 -1.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7461 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2864 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1734 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1734 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2864 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7461 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2864 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5502 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6090 0.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1386 1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7509 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4964 0.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2464 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6341 1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8886 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4186 0.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1955 1.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1935 0.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0301 0.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8551 0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7586 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4730 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7586 0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4730 0.0314 0.0000 O 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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
2 32 1 0 0 0 0
32 33 1 0 0 0 0
24 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 ^OCH3
M SBV 1 33 -7.4561 4.5064
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 ^OCH3
M SBV 2 35 -8.1846 3.4858
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 CH2OH
M SBV 3 37 -6.9151 4.1266
S SKP 8
ID FL3FECGS0028
KNApSAcK_ID C00004409
NAME 6-Hydroxyluteolin 6,7-dimethyl ether 4'-glucoside
CAS_RN 41087-98-3
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES C(C(=O)1)=C(c(c3)cc(c(OC(C(O)4)OC(CO)C(C4O)O)c3)O)Oc(c2)c1c(c(OC)c2OC)O
M END
