Mol:FL2FBBNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.2003 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1585 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1585 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9380 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9380 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7212 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1337 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4192 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0067 1.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7212 0.9329 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -5.5231 4.7723
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SBV 2 23 -4.5344 5.2311
S SKP 8
ID FL2FBBNS0001
KNApSAcK_ID C00008436
NAME Tsugafolin
CAS_RN 66568-97-6
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(OC)cc(O)1
M END
