Mol:FL7AACGA0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
61 66 0 0 0 0 0 0 0 0999 V2000
0.0667 -3.5445 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8697 1.1542 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8697 0.3290 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 -0.0835 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 0.3290 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 1.1542 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 1.5667 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 -0.0835 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 0.3290 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 1.1542 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 1.5667 -0.3295 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.2974 1.5664 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 1.1461 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1591 1.5664 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1591 2.4074 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 2.8278 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2974 2.4074 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5839 1.5664 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5424 2.6286 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 -0.9083 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1674 -0.2529 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 3.6685 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 -1.6435 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1468 -1.2572 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 -2.0000 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1468 -2.7476 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 -3.1341 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3101 -2.3911 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -0.8827 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8400 -2.6970 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4980 -3.1341 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8933 0.5668 -0.3461 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1627 0.9887 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2089 0.4969 -0.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1625 1.8101 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6307 2.1278 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 3.0008 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9397 3.4135 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 4.2455 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6298 4.6648 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3206 4.2520 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3208 3.4202 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6295 5.4965 -0.5718 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9239 -0.4955 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4472 0.1337 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 -0.1332 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0982 -0.1404 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5797 -0.6219 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1802 -0.3049 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5839 -0.1146 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1904 0.1699 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7774 -0.9497 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7774 -1.6385 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0929 4.6980 -0.3475 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3458 -4.2590 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3458 -5.0840 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0602 -5.4965 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3687 -5.4965 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -5.0840 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -4.2590 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7976 -5.4965 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 2 2 0
5 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 12 1 0
2 18 1 0
15 19 1 0
4 20 1 0
21 9 1 0
16 22 1 0
23 24 1 0
24 25 1 1
25 26 1 1
27 26 1 1
27 28 1 0
28 23 1 0
23 29 1 0
28 30 1 0
27 31 1 0
24 21 1 0
33 34 1 0
33 35 1 0
35 36 2 0
36 37 1 0
37 38 2 0
38 39 1 0
39 40 2 0
40 41 1 0
41 42 2 0
42 37 1 0
40 43 1 0
32 33 2 0
44 45 1 0
45 46 1 0
47 46 1 0
47 48 1 1
49 48 1 1
44 49 1 1
44 50 1 0
45 51 1 0
49 52 1 0
52 53 1 0
29 47 1 0
34 46 1 0
41 54 1 0
26 1 1 0
1 55 1 0
55 56 1 0
56 57 2 0
56 58 1 0
58 59 1 0
59 60 1 0
59 61 2 0
M CHG 1 11 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGA0017
KNApSAcK_ID
NAME
CAS_RN 1392667-16-1
FORMULA C39H39O22
EXACTMASS 859.193297932
AVERAGEMASS 859.7137600000001
SMILES C(C(C3O)OC(Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(cc(O)5)O)C(C3O)OC(C1OC(=O)C=Cc(c2)ccc(c2O)O)OC(C(O)C1O)CO)OC(CC(O)=O)=O
M END
