Mol:FL7AAIGO0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-2.2947 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2947 -0.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5800 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 -0.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5800 0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1509 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 -0.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1509 0.4758 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.2779 0.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7343 0.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7343 1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2779 1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3983 1.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5800 -1.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0088 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3492 -1.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1359 -2.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -2.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6054 -2.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -1.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1359 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3540 -1.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2747 -1.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1496 -3.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7713 -3.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1207 -2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0705 -2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5938 -2.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9072 -2.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2448 -2.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7262 -1.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3269 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7750 -2.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2693 -2.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2857 -2.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 2.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5729 3.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8437 -1.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5929 -0.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4906 0.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7750 0.0390 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 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
14 17 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 20 1 0 0 0 0
20 8 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 18 1 0 0 0 0
40 41 1 0 0 0 0
15 40 1 0 0 0 0
42 43 1 0 0 0 0
36 42 1 0 0 0 0
44 45 1 0 0 0 0
13 44 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 OCH3
M SBV 1 45 0.0000 -0.7014
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 ^ CH2OH
M SBV 2 47 0.5169 -0.5509
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 49
M SMT 3 OCH3
M SBV 3 49 -0.7563 0.4366
S SKP 5
ID FL7AAIGS0004
FORMULA C29H35O16
EXACTMASS 639.192510072
AVERAGEMASS 639.5785999999999
SMILES Oc(c4)cc(c3c4OC(C(O)5)OC(C(C(O)5)O)CO)[o+1]c(c(c3)OC(O2)C(O)C(O)C(C(C)2)O)c(c1)cc(OC)c(c(OC)1)O
M END
