Mol:FL3FFCGS0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-0.2558 0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2558 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4587 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1732 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1732 0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4587 1.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9703 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9703 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1137 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8281 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8281 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1137 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -2.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5426 -0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1137 -2.4194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8787 1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8376 -0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1137 0.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6915 2.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8736 2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1456 1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7171 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5349 1.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2629 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2696 3.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2903 2.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2300 0.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0060 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4509 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2743 -0.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0095 -1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5647 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7413 -0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2722 -0.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4808 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2903 -0.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7702 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1131 -1.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6297 -1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0746 -2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8979 -2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6332 -2.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1884 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3650 -2.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7122 -1.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4977 -2.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3157 -2.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5697 -3.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2266 2.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3909 3.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
41 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
42 47 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
33 21 1 0 0 0 0
53 54 1 0 0 0 0
28 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 CH2OH
M SBV 1 59 -0.0363 -0.8240
S SKP 5
ID FL3FFCGS0023
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES O(C1CO)C(Oc(c(O)6)c(c5c(c6)O)OC(=CC5=O)c(c2)ccc(c2OC(O3)C(C(O)C(O)C3COC(C4O)OC(C(O)C(O)4)C)O)O)C(C(C1O)O)O
M END
