Mol:FL1C3CGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 43 0 0 0 0 0 0 0 0999 V2000
-0.3479 -0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3479 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8663 -0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4176 -1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9016 0.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 0.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8329 -1.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 -1.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9480 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6017 -0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 -0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5835 -0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 -0.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4810 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3351 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1415 -0.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 -0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9264 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9264 0.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4311 1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4311 1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0556 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0556 0.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5828 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1415 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6384 -1.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6140 -1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
25 18 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
28 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
33 38 1 0 0 0 0
29 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
S SKP 8
ID FL1C3CGS0007
KNApSAcK_ID C00007898
NAME Okanin 4'-(3'',4'',6''-triacetylglucoside)
CAS_RN 135618-14-3
FORMULA C27H28O14
EXACTMASS 576.147905604
AVERAGEMASS 576.50282
SMILES CC(=O)OC(C(OC(C)=O)3)C(O)C(OC3COC(C)=O)Oc(c2)c(O)c(c(c2)C(C=Cc(c1)ccc(c1O)O)=O)O
M END
