Mol:FL3FE9GS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
0.3659 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3659 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1702 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1702 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 0.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 -1.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6211 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0808 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5405 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5405 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0808 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6211 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 0.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8267 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5686 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3728 0.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0224 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5405 -0.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1432 -0.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6601 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0247 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1199 -0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3276 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -1.1901 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
18 1 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
2 30 1 0 0 0 0
3 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -7.5401 5.9331
S SKP 8
ID FL3FE9GS0010
KNApSAcK_ID C00004482
NAME 6,7-Dihydroxy-5-methoxyflavone 7-glucoside
CAS_RN 150036-31-0
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES O(C)c(c(O)3)c(c(cc3OC(C(O)4)OC(CO)C(C4O)O)2)C(=O)C=C(O2)c(c1)cccc1
M END
