Mol:FL1DA9NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-1.9194 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9194 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3654 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3654 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2577 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2949 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8462 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3963 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3963 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2577 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4731 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3654 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2577 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4568 0.5467 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 1 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
1 17 1 0 0 0 0
3 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 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 20
M SMT 1 OCH3
M SBV 1 20 -5.6722 3.7436
S SKP 8
ID FL1DA9NS0003
KNApSAcK_ID C00007930
NAME Uvangoletin
CAS_RN 76444-56-9
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c1)c(C(=O)CCc(c2)cccc2)c(O)cc(O)1
M END
