Mol:FL5FCDGA0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.1847 -5.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4480 -5.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6676 -4.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 -3.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -4.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5976 -4.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 -3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0616 -2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5711 -2.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7908 -3.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9676 -3.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9839 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 -1.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1808 -1.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8255 -1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0494 -2.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -2.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4909 -2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9416 -0.7694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5540 -1.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2994 -1.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0494 -1.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4371 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6916 -0.9824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2145 -0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9604 -0.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2075 0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 -0.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2999 -4.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6660 -1.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6263 -1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7320 -5.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4980 -6.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6199 -1.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3344 -1.8110 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 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
16 30 1 0 0 0 0
30 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
22 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 CH2OH
M SVB 3 37 2.6199 -1.3985
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -3.3344 0.5506
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 0.6546 1.811
S SKP 8
ID FL5FCDGA0001
KNApSAcK_ID C00005606
NAME Rhamnazin 3-galactoside
CAS_RN 59359-34-1
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES O(c(c(O)4)cc(cc4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)O[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O)C
M END
