Mol:FL7AACGL0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.6402 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6402 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9258 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2113 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2113 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9258 1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4969 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7825 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7825 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4969 1.3496 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0683 1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6599 0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 2.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6599 2.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0683 2.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1159 2.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3544 1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9258 -1.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0271 -0.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6599 3.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2144 -2.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3751 -2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2075 -2.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 -1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2144 -1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0184 -1.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1836 -3.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7037 -2.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1101 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7338 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5002 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3011 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6568 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9920 -0.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3691 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0839 -0.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8289 -0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2003 -0.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3109 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9485 1.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3544 0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2563 -3.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5317 -3.2159 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
26 20 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
33 38 1 0 0 0 0
32 39 1 0 0 0 0
25 36 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
34 40 1 0 0 0 0
43 44 1 0 0 0 0
22 43 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 40 41 42
M SBL 1 1 46
M SMT 1 COOH
M SBV 1 46 -0.6541 -0.2166
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 ^ CH2OH
M SBV 2 48 0.0419 0.6696
S SKP 5
ID FL7AACGL0010
FORMULA C27H29O17
EXACTMASS 625.140474502
AVERAGEMASS 625.50896
SMILES Oc(c(O)1)ccc(c(c(OC(C4OC(O5)C(O)C(C(C5C(O)=O)O)O)OC(CO)C(C(O)4)O)3)[o+1]c(c2c3)cc(O)cc2O)c1
M END
