Mol:FL2FAAGI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-2.2504 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2504 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5357 -1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8209 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8209 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5357 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1061 -1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6086 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6086 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1061 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3231 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 -0.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7800 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7800 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3231 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1061 -2.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5083 1.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5357 -2.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5357 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5357 2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9647 2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3935 0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9514 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3146 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7004 -0.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1467 0.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7971 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8869 -0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5656 -0.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8194 -0.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0516 0.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4608 1.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1162 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7790 1.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4458 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7904 1.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1277 1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8629 1.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5560 1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2703 1.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0270 0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2703 1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9857 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9583 -0.1243 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
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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 33 1 0 0 0 0
28 34 1 0 0 0 0
34 1 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
35 41 1 0 0 0 0
40 42 1 0 0 0 0
39 43 1 0 0 0 0
36 18 1 0 0 0 0
44 45 1 0 0 0 0
30 44 1 0 0 0 0
46 47 1 0 0 0 0
38 46 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 ^ CH2OH
M SBV 1 49 0.2299 -0.8346
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 46 47
M SBL 2 1 51
M SMT 2 CH2OH
M SBV 2 51 -0.5399 0.0000
S SKP 5
ID FL2FAAGI0001
FORMULA C32H40O15
EXACTMASS 664.23672061
AVERAGEMASS 664.651
SMILES O(C(c(c5)ccc(c5)OC(O4)C(O)C(C(O)C(CO)4)O)3)c(c(C(=O)C3)1)c(c(OC(C(O)2)OC(CO)C(C2O)O)cc1O)CC=C(C)C
M END
