Mol:FLIA2CNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.3007 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7548 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3753 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5416 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0874 -1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1621 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3283 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8741 -2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2536 -2.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9486 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4342 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0976 -1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2754 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7897 -2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1263 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6161 -0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6736 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2074 -1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9613 -2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6105 -0.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3554 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1171 0.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9390 0.1008 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
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.5979 0.5083
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.2406 1.678
S SKP 8
ID FLIA2CNS0003
KNApSAcK_ID C00009411
NAME Fujikinetin methyl ether
CAS_RN 2746-85-2
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c(OC)4)(OC)cc(c1c4)OC=C(c(c3)cc(c2c3)OCO2)C1=O
M END
