Mol:FL7AAIGL0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.2363 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2362 -0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5215 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5215 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0920 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3773 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3773 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0919 0.6041 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3372 0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0657 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7943 0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7943 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0657 1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3373 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9507 0.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5153 1.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5215 -1.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3545 -1.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6665 -2.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 -3.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0792 -2.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7723 -2.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9507 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3596 -2.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0079 -2.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4463 -0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7645 -1.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4312 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7759 -0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1132 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7113 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5747 -0.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4522 -0.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0852 -1.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6924 -1.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7900 -3.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8400 -3.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8210 -3.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0657 2.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6329 3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5282 0.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8131 0.1801 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
42 43 1 0 0 0 0
15 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 42 43
M SBL 1 1 47
M SMT 1 OCH3
M SBV 1 47 0.0000 -0.6478
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 44 45
M SBL 2 1 49
M SMT 2 OCH3
M SBV 2 49 -0.7339 0.4237
S SKP 5
ID FL7AAIGL0005
FORMULA C29H35O16
EXACTMASS 639.192510072
AVERAGEMASS 639.5785999999999
SMILES C(O)(C1O)C(C(Oc(c4)c(c(c5)cc(OC)c(c(OC)5)O)[o+1]c(c43)cc(O)cc3O)OC1COC(O2)C(C(C(O)C(C)2)O)O)O
M END
