Mol:FL7AAGGA0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-2.0408 1.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0408 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1930 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3450 0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3450 1.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1928 2.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5030 0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 1.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5029 2.0133 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.1986 2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0630 1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9270 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9270 3.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0628 3.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1985 3.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 2.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7908 3.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1928 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4840 0.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0629 4.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8891 -3.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4202 -3.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2230 -3.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9913 -3.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4604 -3.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6575 -3.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0911 -2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7531 -0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0448 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 -0.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4109 -1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1191 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3257 -0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1902 0.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8046 -0.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1205 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2823 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 -3.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7750 -4.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9312 -4.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7908 1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1158 -0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5879 -1.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8279 -1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 -1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6275 -0.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4040 -1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7718 -1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2976 -1.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1360 -1.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3329 -0.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9577 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4604 -0.3111 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
15 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
29 30 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 29 1 0 0 0 0
29 35 1 0 0 0 0
34 36 1 0 0 0 0
32 37 1 0 0 0 0
26 38 1 0 0 0 0
37 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
30 20 1 0 0 0 0
13 42 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 19 1 0 0 0 0
33 52 1 0 0 0 0
53 54 1 0 0 0 0
48 53 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 ^ CH2OH
M SBV 1 59 0.5537 -0.4697
S SKP 5
ID FL7AAGGA0004
FORMULA C33H41O21
EXACTMASS 773.214033374
AVERAGEMASS 773.66604
SMILES O(C(C6O)OC(C(C6O)O)COC(C5O)OC(C(O)C(O)5)C)c(c(c(c4)cc(O)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(c2)O)OC(O1)C(O)C(C(O)C(CO)1)O
M END
