Mol:FL2FGGNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.1030 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -0.1808 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5404 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4356 1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3017 1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 -2.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 -3.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 1.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9604 1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9023 1.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8175 -0.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8054 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4356 -0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3017 -0.8804 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 7 SUP
M SLB 1 7 7
M SAL 7 2 30 31
M SBL 7 1 32
M SMT 7 OCH3
M SVB 7 32 1.7458 -0.0867
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 28 29
M SBL 6 1 30
M SMT 6 OCH3
M SVB 6 30 -2.8175 -0.6702
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 26 27
M SBL 5 1 28
M SMT 5 OCH3
M SVB 5 28 -1.322 0.6826
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -2.4603 0.4379
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 1.302 1.6116
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 -2.0956 -1.1991
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 2.103 1.0446
S SKP 8
ID FL2FGGNS0002
KNApSAcK_ID C00008417
NAME 5,6,7,8,3',4',5'-Heptamethoxyflavanone
CAS_RN 119153-16-1
FORMULA C22H26O9
EXACTMASS 434.15768243
AVERAGEMASS 434.43644
SMILES C(=O)(C1)c(c(OC)3)c(c(OC)c(OC)c(OC)3)OC(c(c2)cc(c(c(OC)2)OC)OC)1
M END
