Mol:FL3FECGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
0.3240 0.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3240 0.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7751 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2261 0.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2261 0.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7751 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6772 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 0.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 0.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6772 0.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8489 -0.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0389 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4986 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4986 1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0389 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0389 2.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0888 1.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7751 -0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1261 0.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1261 -0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0518 0.7136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5362 0.0330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7937 0.3217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0772 0.3295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5979 0.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 0.5779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6283 0.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2481 -0.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1064 -0.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8445 -3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7886 -2.0936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9359 -2.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6797 -1.3818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2251 -0.8282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9587 -0.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2376 -1.6482 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.3377 -2.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1408 -1.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0290 -1.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9503 -1.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9654 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0373 2.0066 0.0000 O 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
32 33 1 0 0 0 0
36 31 1 0 0 0 0
26 21 1 0 0 0 0
38 41 1 0 0 0 0
41 42 1 0 0 0 0
28 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 47
M SMT 2 CH2OH
M SVB 2 47 -2.6519 1.3853
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 45
M SMT 1 CH2OH
M SVB 1 45 -2.8018 -0.3908
S SKP 8
ID FL3FECGS0017
KNApSAcK_ID C00004392
NAME 6-Hydroxyluteolin 7-sophoroside
CAS_RN 93289-75-9
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES c(C1=O)(c(O)3)c(cc(O[C@@H]([C@@H](O[C@@H]([C@H]5O)OC([C@@H]([C@@H]5O)O)CO)4)OC([C@@H]([C@@H]4O)O)CO)c(O)3)OC(c(c2)ccc(c2O)O)=C1
M END
