Mol:FL1C3CGS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-1.0105 0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0105 -0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4564 -0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0976 -0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0976 0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4564 0.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6513 -0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2038 -0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7551 -0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3053 -0.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8436 -0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3820 -0.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3820 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8436 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3053 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6513 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4564 -1.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5642 0.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4954 -0.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9203 -0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4043 -0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0580 -1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5594 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0398 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4279 -0.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9372 -0.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7914 -1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5978 -1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2737 -1.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3827 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3827 0.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0046 0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6347 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0046 1.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9203 0.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6347 0.2493 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
19 2 1 0 0 0 0
12 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
13 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 37
M SMT 1 OCH3
M SBV 1 37 -8.2850 4.9094
S SKP 8
ID FL1C3CGS0014
KNApSAcK_ID C00007905
NAME Okanin 4-methyl ether 3'-(6''-acetylglucoside)
CAS_RN 135618-13-2
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES OC(C(COC(C)=O)1)C(O)C(C(Oc(c2O)c(c(C(C=Cc(c3)cc(c(OC)c3)O)=O)cc2)O)O1)O
M END
