Mol:FL5FGGNS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.0995 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0995 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9869 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9869 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6818 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6818 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0880 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 -1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6112 -0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7987 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3735 1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9917 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8578 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8287 1.6179 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
16 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 29 30
M SBL 4 1 32
M SMT 4 OCH3
M SVB 4 32 -1.2652 0.7182
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 27 28
M SBL 3 1 30
M SMT 3 OCH3
M SVB 3 30 0.336 -1.0033
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 2.3735 1.0439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 2.4072 -0.4686
S SKP 8
ID FL5FGGNS0015
KNApSAcK_ID C00005069
NAME 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
CAS_RN 82668-96-0
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES C(O3)(c(c4)cc(OC)c(c(O)4)OC)=C(C(c(c31)c(O)c(O2)c(OC2)c(OC)1)=O)OC
M END
