Mol:FL4DRNNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 41 0 0 0 0 0 0 0 0999 V2000
-1.7778 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7778 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8261 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2982 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2313 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8778 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8295 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0741 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7206 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1224 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6717 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6937 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9488 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4589 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6937 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9398 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8196 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8196 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2987 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3848 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 -0.4466 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
14 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 1 1 0 0 0 0
33 36 1 0 0 0 0
33 37 1 0 0 0 0
S SKP 8
ID FL4DRNNP0002
KNApSAcK_ID C00008630
NAME Sorocein D
CAS_RN 157382-81-5
FORMULA C30H32O7
EXACTMASS 504.214803378
AVERAGEMASS 504.57088
SMILES C(=CCc(c15)c(ccc(C(C(O5)4O)(CC=C(C)C)Oc(c3C4=O)cc(O2)c(c(O)3)C=CC2(C)C)1)O)(C)C
M END
