Mol:FLIF1LGF0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 47 0 0 0 0 0 0 0 0999 V2000
-1.4390 2.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5841 1.6395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2379 1.1825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7393 1.3764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2196 1.3706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6078 1.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1171 1.5484 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.4245 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7777 1.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4536 0.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4289 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1274 0.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6835 0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6835 -0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2602 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8369 -0.6494 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.8369 0.0166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.2602 0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4287 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1274 -0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2602 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4133 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4133 -1.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9646 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5160 -1.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5160 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9646 -0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 2.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0062 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6450 1.0331 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9063 0.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9904 0.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4137 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5160 -1.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5160 -1.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1395 2.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5750 1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6908 2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1033 3.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5258 -2.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2403 -2.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
3 4 1 1 0 0 0
4 5 1 1 0 0 0
6 5 1 1 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
3 9 1 0 0 0 0
4 10 1 0 0 0 0
5 11 1 0 0 0 0
6 1 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 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
12 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
16 22 2 0 0 0 0
17 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
2 29 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 12 1 0 0 0 0
28 33 1 0 0 0 0
33 34 1 0 0 0 0
34 18 1 0 0 0 0
31 2 1 0 0 0 0
26 35 1 0 0 0 0
35 36 1 0 0 0 0
2 37 1 0 0 0 0
37 38 1 0 0 0 0
8 39 1 0 0 0 0
39 40 1 0 0 0 0
25 41 1 0 0 0 0
41 42 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 39 40
M SBL 4 1 44
M SMT 4 CH2OH
M SVB 4 44 -3.3227 2.4649
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 37 38
M SBL 3 1 42
M SMT 3 CH2OH
M SVB 3 42 -0.1395 2.1162
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SVB 2 46 2.5258 -2.0962
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 40
M SMT 1 OCH3
M SVB 1 40 3.7101 -1.825
S SKP 8
ID FLIF1LGF0004
KNApSAcK_ID C00010179
NAME Amorphigenol O-glucoside
CAS_RN 29360-13-2
FORMULA C29H34O13
EXACTMASS 590.199941174
AVERAGEMASS 590.57246
SMILES [C@H](O6)([C@@H](O)[C@@H](O)[C@H](C6CO)O)OC(C(O1)Cc(c25)c1ccc(C(C(C(O5)3)c(c4)c(cc(OC)c4OC)OC3)=O)2)(CO)C
M END
