Mol:FL3FGGNS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.2364 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8400 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3321 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2205 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1249 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7126 -2.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6011 -3.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9975 -3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5054 -3.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1832 -2.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8860 -4.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3874 -4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2738 -5.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6586 -5.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1571 -5.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2707 -4.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5450 -6.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7445 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5421 -5.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9355 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0398 -5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8059 -6.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6815 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 -3.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4036 -0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 -1.1344 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
3 21 1 0 0 0 0
14 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
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -2.7769 -0.7269
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.2281 0.7182
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.0624 -0.0612
S SKP 8
ID FL3FGGNS0011
KNApSAcK_ID C00004083
NAME 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
CAS_RN 147025-58-9
FORMULA C18H16O9
EXACTMASS 376.07943210999997
AVERAGEMASS 376.31424
SMILES O(C(c(c3)cc(OC)c(O)c(O)3)=2)c(c1OC)c(C(=O)C2)c(c(c1O)OC)O
M END
