Mol:FL3FECGS0035
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 46 0 0 0 0 0 0 0 0999 V2000
0.4725 1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4725 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3747 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3747 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 1.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8257 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2768 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2768 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8257 1.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8257 -0.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7277 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1874 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6471 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6471 1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1874 2.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7277 1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 -0.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0113 1.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1068 2.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7820 1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2664 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5239 0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8074 0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3280 1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9776 1.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4958 0.9668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0702 0.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0984 0.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4418 0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0929 -0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5278 -1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1772 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6103 -2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2867 -2.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1068 -1.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5976 -1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0025 0.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0434 -2.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1874 2.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1427 0.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0476 1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8445 1.7846 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
32 36 1 0 0 0 0
32 37 1 0 0 0 0
30 38 2 0 0 0 0
34 39 2 0 0 0 0
16 40 1 0 0 0 0
2 41 1 0 0 0 0
26 42 1 0 0 0 0
42 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 45
M SMT 1 ^CH2OH
M SBV 1 45 -6.2922 4.4586
S SKP 8
ID FL3FECGS0035
KNApSAcK_ID C00004510
NAME 6-Hydroxyluteolin 7-[3''-(3-hydroxy-3-methylglutaryl)glucoside]
CAS_RN 151750-80-0
FORMULA C27H28O16
EXACTMASS 608.137734848
AVERAGEMASS 608.50162
SMILES c(c2)(c(O)c(O)c(C3=O)c2OC(c(c4)ccc(c4O)O)=C3)OC(O1)C(O)C(C(O)C(CO)1)OC(=O)CC(C)(O)CC(O)=O
M END
