Mol:FL2FBCGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.5181 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5181 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0382 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5945 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5945 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0382 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7071 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7071 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2632 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3972 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3972 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2632 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0742 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9955 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8227 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1792 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8715 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2761 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6844 0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5875 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1307 -0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3937 0.3584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8227 0.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6790 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8821 1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3982 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3163 -1.6758 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
19 25 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
3 33 1 0 0 0 0
33 34 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 ^CH2OH
M SBV 1 34 -6.3599 6.9410
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -6.7048 6.1146
S SKP 8
ID FL2FBCGM0001
KNApSAcK_ID C00008313
NAME 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside
CAS_RN 85687-89-4
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES c(c2OC)(C)c(cc(O3)c2C(CC3c(c4)ccc(c4O)O)=O)OC(C(O)1)OC(CO)C(C1O)O
M END
