Mol:FL7AACGL0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.5041 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5041 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7896 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0753 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0752 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7898 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6392 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3537 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3538 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6392 1.4087 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.0680 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7962 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5244 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5244 2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7962 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0680 2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2523 2.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2183 1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7896 -1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7962 3.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2573 -0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6194 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4378 -1.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9436 -1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7857 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9674 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9342 -0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9036 -1.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9628 -2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7337 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9516 0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5614 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8202 2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6022 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9925 1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7900 2.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1674 2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9628 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3365 0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5897 -2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9159 -3.5105 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
15 20 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
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
21 8 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 18 1 0 0 0 0
41 42 1 0 0 0 0
25 41 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 CH2OH
M SBV 1 46 -0.6461 0.6569
S SKP 5
ID FL7AACGL0012
FORMULA C27H31O15
EXACTMASS 595.166295322
AVERAGEMASS 595.52604
SMILES Oc(c(O)5)ccc(c5)c(c3OC(O4)C(C(O)C(C4CO)O)O)[o+1]c(c1c3)cc(OC(O2)C(O)C(O)C(O)C2C)cc1O
M END
