Mol:FL5FAHGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-3.6663 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6663 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5536 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5536 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9973 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4410 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4410 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9973 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9973 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3180 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2490 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2490 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3180 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8850 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0427 1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2772 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8158 -0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3756 0.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0802 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6482 -0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2197 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5151 0.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9471 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8269 -0.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1810 0.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9414 -0.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5627 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2772 -0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 1.3299 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
3 18 1 0 0 0 0
8 19 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
14 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
22 24 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -7.4029 4.1387
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 -7.4625 4.6881
S SKP 8
ID FL5FAHGS0003
KNApSAcK_ID C00005764
NAME Laricitrin 5'-glucoside
CAS_RN 123442-26-2
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES OC(C1O)C(Oc(c4O)cc(cc4OC)C(=C2O)Oc(c3)c(c(O)cc3O)C2=O)OC(CO)C1O
M END
