Mol:FL5FADGL0034
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-1.8168 -3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1964 -3.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 -3.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9085 -2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5289 -2.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9831 -3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4542 -2.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6205 -1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2409 -1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6952 -2.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0294 -2.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4072 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9443 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1137 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7460 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2089 -0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0395 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0788 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8106 -0.0019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4229 -0.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1684 -0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9184 -0.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3061 -0.0019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5606 -0.2149 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0835 -0.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8294 0.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9204 -0.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0049 1.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1220 -3.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1667 -4.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5473 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8929 -1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1825 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8499 -2.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7191 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6922 0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4447 0.9241 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
16 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 39
M SMT 1 OCH3
M SVB 1 39 0.5235 2.5786
S SKP 8
ID FL5FADGL0034
KNApSAcK_ID C00006005
NAME Isorhamnetin 3-(6''-acetylglucoside)
CAS_RN 64317-85-7
FORMULA C24H24O13
EXACTMASS 520.121690854
AVERAGEMASS 520.43956
SMILES O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O
M END
