Mol:FL4DACNC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.8988 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8988 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 -0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7208 -1.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3342 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4055 0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3342 0.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 1.6733 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
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
2 12 1 0 0 0 0
9 13 1 6 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
8 19 1 1 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
17 30 1 0 0 0 0
S SKP 8
ID FL4DACNC0001
KNApSAcK_ID C00008659
NAME Gericudranin C
CAS_RN 172617-93-5
FORMULA C22H18O8
EXACTMASS 410.100167552
AVERAGEMASS 410.37352000000004
SMILES c(c4)c(ccc4O)Cc(c1O)c(cc(O2)c1C(C(O)C(c(c3)ccc(c3O)O)2)=O)O
M END
