Mol:BMMCBZ4Sq015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 999 V2000
3.5797 -12.5150 0.0000 C 0 0 0 0 0 0 0 0 0
2.8598 -12.9349 0.0000 C 0 0 0 0 0 0 0 0 0
3.5797 -11.6812 0.0000 C 0 0 0 0 0 0 0 0 0
4.4308 -12.9280 0.0000 C 0 0 0 0 0 0 0 0 0
2.1433 -12.5150 0.0000 C 0 0 0 0 0 0 0 0 0
2.8598 -13.7618 0.0000 O 0 0 0 0 0 0 0 0 0
2.8598 -11.2640 0.0000 C 0 0 0 0 0 0 0 0 0
4.2963 -11.2640 0.0000 C 0 0 0 0 0 0 0 0 0
5.1473 -12.5115 0.0000 C 0 0 0 0 0 0 0 0 0
2.1433 -11.6812 0.0000 C 0 0 0 0 0 0 0 0 0
1.4261 -12.9246 0.0000 O 0 0 0 0 0 0 0 0 0
2.8598 -10.4405 0.0000 O 0 0 0 0 0 0 0 0 0
5.8603 -12.9246 0.0000 C 0 0 0 0 0 0 0 0 0
1.4295 -11.2640 0.0000 O 0 0 0 0 0 0 0 0 0
0.7095 -12.5081 0.0000 C 0 0 0 0 0 0 0 0 0
6.5769 -12.5115 0.0000 C 0 0 0 0 0 0 0 0 0
5.8603 -13.7481 0.0000 C 0 0 0 0 0 0 0 0 0
7.2834 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0
7.9917 -12.5084 0.0000 C 0 0 0 0 0 0 0 0 0
8.7042 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0
8.7032 -13.7375 0.0000 C 0 0 0 0 0 0 0 0 0
9.4150 -12.5092 0.0000 C 0 0 0 0 0 0 0 0 0
1.4339 -10.4431 0.0000 C 0 0 0 0 0 0 0 0 0
3 7 1 0 0 0
3 8 1 0 0 0
4 9 1 0 0 0
5 10 1 0 0 0
5 11 1 0 0 0
7 12 1 0 0 0
9 13 2 0 0 0
10 14 1 0 0 0
11 15 1 0 0 0
13 16 1 0 0 0
13 17 1 0 0 0
7 10 2 0 0 0
16 18 1 0 0 0
1 2 1 0 0 0
18 19 1 0 0 0
1 3 2 0 0 0
19 20 2 0 0 0
1 4 1 0 0 0
20 21 1 0 0 0
2 5 2 0 0 0
20 22 1 0 0 0
2 6 1 0 0 0
14 23 1 0 0 0
S SKP 7
ID BMMCBZ4Sq015
FORMULA C19H28O4
EXACTMASS 320.19875938399997
AVERAGEMASS 320.42322
SMILES CC(C)=CCCC(C)=CCc(c(C)1)c(O)c(OC)c(OC)c(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00390
M END
