Mol:FLIA2CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-1.8834 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6355 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3185 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5979 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4395 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5979 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 ^OCH3
M SBV 1 25 -6.5125 3.7126
S SKP 8
ID FLIA2CNS0001
KNApSAcK_ID C00009406
NAME Fujikinetin
CAS_RN 38965-66-1
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES COc(c(O)4)cc(c3c4)C(=O)C(=CO3)c(c1)cc(O2)c(OC2)c1
M END
