Mol:FL5FAAGA0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-2.8452 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8452 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 1.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4432 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4432 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 3.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 1.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 3.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 0.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6596 3.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 2.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0886 3.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0886 3.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 4.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6596 3.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5460 3.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8029 4.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6234 1.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0649 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3322 0.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5647 -0.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3322 -0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0649 -1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8325 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0634 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4127 -0.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9628 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5750 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1112 -2.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3812 -2.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8043 -3.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9907 -3.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1724 -3.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2508 -2.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5628 -3.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 -3.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3319 -3.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5637 -4.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1724 -4.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4408 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3549 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6979 0.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4733 1.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5591 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2162 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1407 1.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9784 -0.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5460 -0.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4780 0.5026 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
23 21 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 32 1 0 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
48 43 1 1 0 0 0
48 49 1 0 0 0 0
43 50 1 0 0 0 0
44 51 1 0 0 0 0
45 52 1 0 0 0 0
47 28 1 0 0 0 0
S SKP 5
ID FL5FAAGA0018
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES OC(C1O)C(C(C)OC1OC(C(OC(C4=O)=C(c(c6)ccc(c6)O)Oc(c5)c4c(O)cc5O)2)C(O)C(C(COC(C(O)3)OC(C)C(O)C(O)3)O2)O)O
M END
