Mol:FL7AACGA0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-1.7747 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7748 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0533 -1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0532 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3897 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1112 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1112 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3897 0.5708 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.8324 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5677 0.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3031 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3030 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5676 1.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8324 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4960 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0381 1.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0532 -1.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 -1.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9692 -2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -3.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3248 -2.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0120 -3.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3061 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6562 -2.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2421 -2.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9122 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4831 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2332 -1.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9490 -1.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3588 -0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5852 -0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1932 -0.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9247 -0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6402 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1132 -1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0191 -3.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9343 -3.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0439 -3.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5676 2.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9027 -0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5919 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9027 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5833 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5863 1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8743 1.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8782 2.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5940 3.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3061 2.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3022 1.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5940 3.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4513 -1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9697 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2764 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6077 -2.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0937 -1.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7002 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1181 -2.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6967 -2.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 -2.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1987 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1895 -0.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1888 0.0336 0.0000 O 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 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
31 36 1 0 0 0 0
25 37 1 0 0 0 0
36 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
29 20 1 0 0 0 0
15 41 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
53 59 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
58 62 1 0 0 0 0
56 19 1 0 0 0 0
62 63 1 0 0 0 0
63 42 1 0 0 0 0
32 64 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGA0012
FORMULA C42H47O22
EXACTMASS 903.255898188
AVERAGEMASS 903.80938
SMILES C(C(O)1)(C(OCC(O2)C(C(O)C(O)C2Oc(c4)c([o+1]c(c7)c4c(cc7O)OC(O5)C(O)C(C(C(COC(=O)C=Cc(c6)ccc(O)c6)5)O)O)c(c3)ccc(O)c3O)O)OC(C)C(O)1)O
M END
