Mol:FL1C1AND0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.7846 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1185 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1185 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4507 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4507 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8247 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8247 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4614 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4614 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2030 0.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6271 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1370 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3950 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2962 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9345 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3950 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7347 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3714 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3714 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7347 0.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6855 1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8978 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5216 1.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2166 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8978 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7100 -0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8832 -0.6569 0.0000 O 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
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
5 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 6 1 0 0 0 0
2 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
16 19 2 0 0 0 0
18 8 1 0 0 0 0
10 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 11 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
3 26 1 0 0 0 0
14 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL1C1AND0001
KNApSAcK_ID C00011143
NAME Bartericin C
CAS_RN 681214-25-5
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(c(c3)ccc(O4)c3CCC4(C)C)=CC(c(c1O)cc(C2)c(OC(C(C)(C)O)2)c1)=O
M END
