Mol:FL3FAICS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.3522 -1.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3522 -1.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 -2.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 -1.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 -1.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2088 -2.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5056 -1.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5056 -1.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2088 -0.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2088 -2.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0664 -0.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4934 2.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2712 1.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9412 0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9324 0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3374 0.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7291 1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8868 3.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3145 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3640 0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 -3.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3788 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1317 -0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8846 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8846 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1317 0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3788 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9968 0.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8425 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3659 -2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6794 -2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0170 -2.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4983 -1.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0989 -2.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6672 -1.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1090 -2.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1609 -2.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2776 1.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3601 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5079 1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0856 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9968 -1.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1090 -1.7992 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 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
9 23 1 0 0 0 0
26 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
39 40 1 0 0 0 0
18 39 1 0 0 0 0
41 42 1 0 0 0 0
27 41 1 0 0 0 0
43 44 1 0 0 0 0
25 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.4515 -0.5696
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 SBV 2 46 -0.3762 -0.7470
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 48
M SMT 3 OCH3
M SBV 3 48 -1.1122 0.6422
S SKP 5
ID FL3FAICS0004
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES OC(C1c(c53)c(O)c(c(O)c3C(=O)C=C(O5)c(c4)cc(OC)c(O)c(OC)4)C(C(O)2)OCC(O)C2O)C(O)C(C(O1)CO)O
M END
