Mol:FL7AAAGL0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
77 84 0 0 0 0 0 0 0 0999 V2000
-3.4016 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4016 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6871 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6871 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2579 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5433 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5433 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2579 0.9976 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1708 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8991 0.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6274 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6274 1.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8991 2.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1708 1.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1159 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3554 2.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6871 -1.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0767 -0.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 -2.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2605 -2.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0973 -2.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4339 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 -1.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5692 -2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0648 -3.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5105 -3.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6919 -2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9483 -1.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5063 -1.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8697 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2556 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7019 -1.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3520 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4533 -1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0046 -2.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3387 -2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7219 -0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1728 -1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8224 -0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4692 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4255 -0.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5124 -1.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3609 -1.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8274 0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5642 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3138 0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5642 1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2827 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2827 2.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0123 3.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0123 4.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2827 4.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 4.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 3.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2827 5.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9712 -0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5930 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9855 -2.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5990 -3.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8617 -2.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 -3.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1739 -3.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5513 -4.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3060 -4.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6835 -3.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3060 -3.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5513 -3.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4376 -3.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8921 -2.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8099 -2.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8495 -1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8099 -0.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6379 -4.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5556 -5.4577 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 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 19 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
40 45 1 0 0 0 0
41 46 1 0 0 0 0
20 39 1 0 0 0 0
24 45 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 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 52 1 0 0 0 0
55 58 1 0 0 0 0
42 59 1 0 0 0 0
43 60 1 0 0 0 0
60 47 1 0 0 0 0
29 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 2 0 0 0 0
64 65 1 0 0 0 0
65 66 2 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
70 65 1 0 0 0 0
68 71 1 0 0 0 0
72 73 1 0 0 0 0
69 72 1 0 0 0 0
74 75 1 0 0 0 0
35 74 1 0 0 0 0
76 77 1 0 0 0 0
67 76 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 72 73
M SBL 1 1 80
M SMT 1 OCH3
M SBV 1 80 -0.5861 -0.7799
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 74 75
M SBL 2 1 82
M SMT 2 ^ CH2OH
M SBV 2 82 0.4974 -0.4510
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 76 77
M SBL 3 1 84
M SMT 3 OCH3
M SBV 3 84 -0.3318 0.5631
S SKP 5
ID FL7AAAGL0043
FORMULA C52H55O25
EXACTMASS 1079.3032423099999
AVERAGEMASS 1079.9780999999998
SMILES c(c8)c(ccc8O)C=CC(OCC(C(O)5)OC(C(OC(O7)C(C(O)C(C7)O)OC(=O)C=Cc(c6)cc(c(O)c6OC)OC)C5O)Oc(c4)c([o+1]c(c42)cc(O)cc2OC(C3O)OC(CO)C(C(O)3)O)c(c1)ccc(c1)O)=O
M END
