Mol:FL1C3CGS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-0.9073 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9073 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3533 -1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2007 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2007 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3533 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7544 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3069 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8583 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4084 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9468 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4851 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4851 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9468 -0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4084 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7544 -2.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3533 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4610 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3922 -1.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0234 -1.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5074 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6625 -0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1429 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5310 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0404 -0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8945 -0.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7009 -0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3769 -1.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4858 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4858 0.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1078 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7379 1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1078 2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0234 -0.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7379 -0.5294 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
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
24 18 1 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 -8.1818 4.1307
S SKP 8
ID FL1C3CGS0016
KNApSAcK_ID C00007907
NAME Okanin 4-methyl ether 4'-(6''-acetylglucoside)
CAS_RN 142628-33-9
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES C(C1O)(C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(C=Cc(c3)cc(c(OC)c3)O)=O)c2)C1O)O
M END
