Mol:FL1C3CGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 43 0 0 0 0 0 0 0 0999 V2000
-0.3479 -0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3479 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8663 -0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4176 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9016 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 0.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8329 -1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 -1.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9480 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6017 -0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 -0.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5835 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 0.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4810 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3351 -0.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1415 -0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9264 0.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9264 1.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4311 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4311 1.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0556 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0556 0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5828 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 1.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3546 -1.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1582 -1.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8249 -1.2636 0.0000 O 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
30 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 2 0 0 0 0
S SKP 8
ID FL1C3CGS0006
KNApSAcK_ID C00007897
NAME Okanin 4'-(2'',4'',6''-triacetylglucoside)
CAS_RN 115070-74-1
FORMULA C27H28O14
EXACTMASS 576.147905604
AVERAGEMASS 576.50282
SMILES OC(C(OC(C)=O)1)C(OC(C)=O)C(COC(C)=O)OC1Oc(c3)c(c(c(c3)C(C=Cc(c2)ccc(c2O)O)=O)O)O
M END
