Mol:FL4DRNNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-1.5788 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5370 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5370 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5788 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0251 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0992 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4303 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0768 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2731 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9196 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3214 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8707 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3816 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8927 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1478 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6579 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8927 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7408 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0992 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6195 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 -1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6579 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 -1.7760 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
7 11 2 0 0 0 0
8 12 1 0 0 0 0
2 13 1 0 0 0 0
6 14 1 0 0 0 0
12 15 1 0 0 0 0
15 16 2 0 0 0 0
16 9 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 16 1 0 0 0 0
18 21 1 0 0 0 0
8 22 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
9 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
1 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
S SKP 8
ID FL4DRNNI0001
KNApSAcK_ID C00008632
NAME Sorocein F
CAS_RN 163687-42-1
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES C(=CCc(c21)c(ccc1C(CC=C(C)C)(O4)C(O)(C(c(c34)c(O)c(c(O)c3)CC=C(C)C)=O)O2)O)(C)C
M END
