Mol:FL5FCDGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.2781 -5.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3546 -5.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5742 -4.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1614 -3.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4713 -4.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6910 -4.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3810 -3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0318 -2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6645 -2.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8842 -3.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 -3.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0773 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8533 -1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2742 -1.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9189 -1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1428 -2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7220 -2.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3975 -2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8482 -0.7694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4606 -1.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2060 -1.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9560 -1.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3437 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5982 -0.9824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1211 -0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4278 -1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5617 -0.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2065 -4.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8254 -5.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5914 -6.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7593 -1.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7197 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5265 -1.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2410 -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
1 30 1 0 0 0 0
30 31 1 0 0 0 0
16 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 2.5265 -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 0.5611 1.811
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 -3.4278 0.5506
S SKP 8
ID FL5FCDGL0001
KNApSAcK_ID C00005607
NAME Rhamnazin 3-glucoside
CAS_RN 20486-38-8
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
