Mol:FL5FELGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 43 0 0 0 0 0 0 0 0999 V2000
-3.1867 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1867 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6304 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0741 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0741 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6304 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5178 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9615 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9615 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5178 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5178 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4054 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1616 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7286 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7286 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1616 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4054 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6304 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5095 0.2420 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.2087 -0.2791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7872 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3692 -0.2791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6701 0.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0915 0.0767 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.9509 0.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1331 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1041 -0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5042 1.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2187 0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9897 -0.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5731 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6627 -0.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4473 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0955 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7705 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5397 -0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5397 -1.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2625 2.4662 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
14 28 1 0 0 0 0
20 28 1 0 0 0 0
15 29 1 0 0 0 0
29 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
2 33 1 0 0 0 0
33 34 1 0 0 0 0
8 35 1 0 0 0 0
35 36 1 0 0 0 0
22 37 1 0 0 0 0
37 38 1 0 0 0 0
17 39 1 0 0 0 0
39 40 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 37 38
M SBL 6 1 40
M SMT 6 CH2OH
M SVB 6 40 3.7328 -0.2922
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 39 40
M SBL 5 1 42
M SMT 5 OCH3
M SVB 5 42 -0.7626 1.6001
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 35 36
M SBL 4 1 38
M SMT 4 OCH3
M SVB 4 38 -0.7626 -0.843
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 OCH3
M SVB 3 36 -3.6627 -0.8124
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 -3.7426 0.5874
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 1.5042 1.3612
S SKP 8
ID FL5FELGS0002
KNApSAcK_ID C00005789
NAME 5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside
CAS_RN 71827-13-9
FORMULA C26H30O14
EXACTMASS 566.163555668
AVERAGEMASS 566.508
SMILES c(O)(c14)c(c(OC)cc(OC(=C(OC)C(=O)4)c(c2)c(cc(c(O[C@H](O3)C(C([C@@H](O)[C@@H](CO)3)O)O)2)OC)OC)1)OC
M END
