Mol:FL5FEGNS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.3370 -1.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9769 -1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2483 -1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8799 -2.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2400 -2.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9685 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1514 -2.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7829 -3.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1431 -3.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8716 -2.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6504 -2.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7747 -3.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0515 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6759 -4.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0237 -4.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2530 -4.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1225 -3.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8880 -1.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5499 -5.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1235 -6.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8516 -4.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7839 -4.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8235 -0.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7517 -0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0674 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 -4.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6281 -5.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0985 -5.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5211 -6.7521 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
15 19 1 0 0 0 0
19 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
1 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
14 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 29 30
M SBL 6 1 31
M SMT 6 OCH3
M SVB 6 31 1.8838 -0.022
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 27 28
M SBL 5 1 29
M SMT 5 OCH3
M SVB 5 29 0.183 -0.9854
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 -2.5983 0.482
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -2.9555 -0.6877
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 1.3907 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 2.241 1.1662
S SKP 8
ID FL5FEGNS0016
KNApSAcK_ID C00004836
NAME 5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone;5-Hydroxy-3,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-Benzopyran-4-one
CAS_RN 17245-31-7
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES c(c3OC)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(OC)c2OC)OC)=O
M END
