Mol:FL63ADNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8645 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8645 -0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 -1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.7397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2896 -0.1178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2489 0.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8006 -1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 1.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8586 0.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5859 1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0169 2.5744 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 5 1 0 0 0 0
1 11 1 0 0 0 0
3 12 1 0 0 0 0
8 13 1 6 0 0 0
9 14 1 6 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
18 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 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.5859 1.6721
S SKP 8
ID FL63ADNS0001
KNApSAcK_ID C00008809
NAME Symplocosidin
CAS_RN 76549-34-3
FORMULA C16H16O6
EXACTMASS 304.094688244
AVERAGEMASS 304.29463999999996
SMILES COc(c(O)3)cc(cc3)[C@@H](O1)[C@H](O)Cc(c(O)2)c(cc(O)c2)1
M END
