Mol:FL1C3CGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 49 0 0 0 0 0 0 0 0999 V2000
-0.3479 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3479 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -1.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8663 -1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4176 -1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -2.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -2.1469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9016 -0.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 -0.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8329 -1.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 -1.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9480 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6017 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 -0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5835 -0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 -0.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4810 -0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3351 -0.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1415 -0.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 -1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9264 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9264 0.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4120 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 1.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8123 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5224 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9436 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6311 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0063 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3061 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0063 2.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6311 2.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9304 1.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0556 -0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0556 0.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5828 -0.5572 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
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
28 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
S SKP 8
ID FL1C3CGS0005
KNApSAcK_ID C00007896
NAME Okanin 4'-(4''-acetyl-6''-p-coumarylglucoside)
CAS_RN 118853-83-1
FORMULA C32H30O14
EXACTMASS 638.163555668
AVERAGEMASS 638.5722000000001
SMILES C(O)(C2O)C(OC(C)=O)C(OC(Oc(c(O)4)ccc(c4O)C(C=Cc(c3)cc(O)c(O)c3)=O)2)COC(C=Cc(c1)ccc(O)c1)=O
M END
