Mol:FL5FCCGA0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-2.9693 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9693 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2581 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5469 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5469 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2581 2.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8357 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1245 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1245 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8357 2.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8357 0.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5865 2.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0361 2.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0361 3.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 4.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5865 3.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5835 1.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2581 0.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0937 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9191 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7494 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1787 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3532 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6253 -0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1659 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9913 1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8216 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2509 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4254 1.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9528 1.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7461 2.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2111 2.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5068 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0241 0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5587 -0.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5054 -1.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7494 -1.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8466 4.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0179 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5887 -2.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4140 -2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2443 -2.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6736 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8483 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2440 -1.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 -2.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8561 -3.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2443 -3.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3913 -3.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8218 -4.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4154 -3.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7964 -4.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4702 -4.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8630 -3.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6488 -3.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0416 -4.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6488 -5.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8630 -5.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8256 -4.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 5.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5396 2.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1787 4.0257 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
32 34 1 0 0 0 0
31 35 1 0 0 0 0
30 36 1 0 0 0 0
24 37 1 0 0 0 0
36 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
28 18 1 0 0 0 0
41 15 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 39 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
52 50 1 0 0 0 0
16 63 1 0 0 0 0
64 65 1 0 0 0 0
1 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^ OCH3
M SBV 1 71 0.5704 -0.3293
S SKP 5
ID FL5FCCGA0009
FORMULA C43H48O22
EXACTMASS 916.26372322
AVERAGEMASS 916.82802
SMILES c(c61)(O)cc(cc1OC(c(c7)cc(O)c(c7)O)=C(C6=O)OC(O2)C(O)C(C(O)C2COC(C3O)OC(C)C(C3OC(O5)C(C(C(O)C5C)OC(C=Cc(c4)ccc(O)c4)=O)O)O)O)OC
M END
