Mol:FL3FCFCS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-1.8611 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8611 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1464 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4316 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4316 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1464 1.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9979 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9979 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 1.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 -1.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1464 -1.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7918 1.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5451 0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2983 1.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2983 2.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5451 2.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7918 2.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2094 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7645 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1238 -0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4562 -0.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9549 0.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6093 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8832 -0.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4599 -0.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 -0.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5199 -1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8543 -2.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2112 -1.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5641 -2.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2297 -1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8729 -1.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1590 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3364 -1.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5932 -2.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5429 -2.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4013 1.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0439 2.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1932 0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1539 0.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0509 2.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9690 2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0411 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1539 0.2420 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 27 1 0 0 0 0
22 2 1 0 0 0 0
38 39 1 0 0 0 0
1 38 1 0 0 0 0
40 41 1 0 0 0 0
24 40 1 0 0 0 0
42 43 1 0 0 0 0
16 42 1 0 0 0 0
44 45 1 0 0 0 0
15 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 ^ OCH3
M SBV 1 43 0.5402 -0.4017
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 45
M SMT 2 ^ CH2OH
M SBV 2 45 0.5840 -0.5065
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 42 43
M SBL 3 1 47
M SMT 3 OCH3
M SBV 3 47 -0.7527 -0.4345
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 44 45
M SBL 4 1 49
M SMT 4 OCH3
M SBV 4 49 -0.7428 0.4582
S SKP 5
ID FL3FCFCS0002
FORMULA C30H36O15
EXACTMASS 636.2054204819999
AVERAGEMASS 636.59784
SMILES C(C(C)1)(C(O)C(C(OC(C5O)C(OC(CO)C5O)c(c(OC)4)c(c(c(c4)2)C(=O)C=C(c(c3)cc(OC)c(OC)c3)O2)O)O1)O)O
M END
