Mol:FL7AACGA0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
73 79 0 0 0 0 0 0 0 0999 V2000
0.0667 -3.5445 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8697 1.1542 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8697 0.3290 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 -0.0835 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 0.3290 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 1.1542 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 1.5667 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 -0.0835 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 0.3290 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 1.1542 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 1.5667 -1.5640 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.2974 1.5664 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 1.1461 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1591 1.5664 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1591 2.4074 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 2.8278 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2974 2.4074 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5839 1.5664 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5424 2.6286 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 -0.9083 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1674 -0.2529 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 -1.6435 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1468 -1.2572 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 -2.0000 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1468 -2.7476 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 -3.1341 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3101 -2.3911 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -0.8827 -1.9936 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8400 -2.6970 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4980 -3.1341 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8933 0.5668 -1.5806 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1627 0.9887 -1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2089 0.4969 -1.7941 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1625 1.8101 -1.5929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6307 2.1278 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 3.0008 -1.7691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9397 3.4135 -1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 4.2455 -1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6298 4.6648 -1.7939 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3206 4.2520 -1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3208 3.4202 -1.5695 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6295 5.4965 -1.8063 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9239 -0.4955 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4472 0.1337 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 -0.1332 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0982 -0.1404 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5797 -0.6219 -0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1802 -0.3049 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5839 -0.1146 -0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1904 0.1699 -0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7774 -0.9497 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7774 -1.6385 -0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0929 4.6980 -1.5820 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3458 -4.2590 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3458 -5.0840 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0602 -5.4965 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3687 -5.4965 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -5.0840 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -4.2590 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7976 -5.4965 -1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8258 3.5495 1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4298 3.7770 0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9608 4.1320 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5745 3.4628 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3173 3.6751 0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0649 3.4628 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4514 4.1320 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7084 3.9197 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2000 4.1133 0.8733 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0143 4.4496 0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2452 3.9193 0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3917 2.9837 1.9936 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3371 2.7030 1.9936 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
22 23 1 0
23 24 1 1
24 25 1 1
26 25 1 1
26 27 1 0
27 22 1 0
22 28 1 0
27 29 1 0
26 30 1 0
23 21 1 0
32 33 1 0
32 34 1 0
34 35 2 0
35 36 1 0
36 37 2 0
37 38 1 0
38 39 2 0
39 40 1 0
40 41 2 0
41 36 1 0
39 42 1 0
31 32 2 0
43 44 1 0
44 45 1 0
46 45 1 0
46 47 1 1
48 47 1 1
43 48 1 1
43 49 1 0
44 50 1 0
48 51 1 0
51 52 1 0
28 46 1 0
33 45 1 0
40 53 1 0
25 1 1 0
1 54 1 0
54 55 1 0
55 56 2 0
55 57 1 0
57 58 1 0
58 59 1 0
58 60 2 0
63 64 1 0
64 65 1 1
65 66 1 1
67 66 1 1
67 68 1 0
68 63 1 0
63 69 1 0
68 70 1 0
64 62 1 0
66 61 1 0
16 62 1 0
67 71 1 0
61 72 1 0
61 73 2 0
M CHG 1 11 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGA0020
KNApSAcK_ID
NAME
CAS_RN 1392667-32-1
FORMULA C45H47O28
EXACTMASS 1035.22538592
AVERAGEMASS 1035.83788
SMILES O(C1Oc(c6)c([o+1]c(c7)c6c(cc(O)7)O)c(c4)ccc(O)c4OC(O5)C(O)C(C(C5C(O)=O)O)O)C(COC(CC(O)=O)=O)C(C(C(OC(C(OC(=O)C=Cc(c3)ccc(O)c(O)3)2)OC(CO)C(O)C2O)1)O)O
M END
