Mol:FL3FAICS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.0960 -0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0960 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3815 -2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6671 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6671 -0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3815 -0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0474 -2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7618 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7618 -0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0474 -0.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0474 -2.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8102 -0.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1753 2.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6232 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6143 0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0193 0.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4110 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4573 2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9552 2.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0666 0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3815 -2.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3879 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1408 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1408 0.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3879 1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 0.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2530 1.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6573 -1.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1807 -2.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4942 -2.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8318 -2.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3131 -1.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9137 -1.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2911 -2.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8561 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0170 -2.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2530 -0.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3652 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6161 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3652 -0.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7641 1.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3418 2.9025 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
25 39 1 0 0 0 0
41 42 1 0 0 0 0
35 41 1 0 0 0 0
43 44 1 0 0 0 0
27 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 OCH3
M SBV 1 44 -1.1122 0.6422
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 ^ CH2OH
M SBV 2 46 0.7024 -0.5921
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 -0.3762 -0.7470
S SKP 5
ID FL3FAICS0003
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES C(C(O)1)(C(OC(c(c(O)2)c(c(C(O5)C(O)C(C(O)C5)O)c(O3)c(C(=O)C=C(c(c4)cc(OC)c(O)c(OC)4)3)2)O)C(O)1)CO)O
M END
