Mol:FL5FACGS0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.1730 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1730 -0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4586 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7441 -0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7441 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4586 1.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0297 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3152 -0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3152 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0297 1.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0283 -1.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5843 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3125 0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0407 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0407 2.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3125 2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5843 2.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4586 -1.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8200 2.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3491 -0.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3125 3.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9013 1.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0858 -2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6366 -1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 -0.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0858 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3417 -1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3312 -1.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1294 -3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7406 -3.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2284 -2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0428 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5587 -1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3016 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0185 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4975 -0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8476 -1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9413 -1.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9762 -1.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3774 -1.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2142 1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5808 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7818 1.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5808 2.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2142 2.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0133 1.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8603 3.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5471 2.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6435 2.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8226 1.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2929 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8226 0.2256 0.0000 O 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
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
9 12 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 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
16 21 1 0 0 0 0
1 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 20 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
29 33 1 0 0 0 0
36 41 1 0 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
47 42 1 1 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
47 50 1 0 0 0 0
42 51 1 0 0 0 0
43 22 1 0 0 0 0
52 53 1 0 0 0 0
37 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 CH2OH
M SBV 1 58 -0.7953 -0.1472
S SKP 5
ID FL5FACGS0043
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES O(C(C)6)C(C(O)C(O)C6O)Oc(c1)cc(O)c(C(=O)3)c(OC(=C3OC(O5)C(C(C(C5C)O)O)OC(O4)C(C(C(O)C4CO)O)O)c(c2)ccc(O)c2O)1
M END
