Mol:FL7AAIGO0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-1.9513 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9513 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2779 -1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6047 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6047 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2779 -0.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7418 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7418 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -0.0457 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.4147 -0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 -0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7790 -0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7790 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4147 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4655 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6902 -1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0935 -2.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9373 -2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6657 -2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2625 -2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4187 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9783 -1.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1942 -1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9620 -2.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 -0.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2779 -2.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4953 1.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0916 -1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6975 -2.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9349 -2.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1770 -2.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5711 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3337 -2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3489 -3.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8369 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4186 -2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9328 -1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9620 -1.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3682 -2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9507 -2.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 1.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6520 3.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4622 -0.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8075 -0.4405 0.0000 C 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
8 17 1 0 0 0 0
18 19 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 18 1 0 0 0 0
19 17 1 0 0 0 0
18 24 1 0 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
1 27 1 0 0 0 0
3 28 1 0 0 0 0
14 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
28 33 1 0 0 0 0
32 36 1 0 0 0 0
30 37 1 0 0 0 0
31 38 1 0 0 0 0
39 40 1 0 0 0 0
35 39 1 0 0 0 0
42 41 1 0 0 0 0
21 41 1 0 0 0 0
43 44 1 0 0 0 0
15 43 1 0 0 0 0
45 46 1 0 0 0 0
13 45 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^ CH2OH
M SBV 1 44 0.5991 -0.6758
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 -0.7025 0.0522
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 0.0000 -0.7417
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 45 46
M SBL 4 1 50
M SMT 4 OCH3
M SBV 4 50 -0.6832 0.3945
S SKP 5
ID FL7AAIGS0001
FORMULA C29H35O17
EXACTMASS 655.187424694
AVERAGEMASS 655.578
SMILES Oc(c1)cc([o+1]4)c(cc(c4c(c5)cc(OC)c(c(OC)5)O)OC(O3)C(C(C(C(CO)3)O)O)O)c1OC(C(O)2)OC(C(C(O)2)O)CO
M END
