Mol:FL1CE9NS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7355 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7355 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1792 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1792 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4898 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7239 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 -0.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6156 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0668 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6477 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -5.7978 3.7225
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -4.8052 4.2041
S SKP 8
ID FL1CE9NS0007
KNApSAcK_ID C00007026
NAME Helilandin A
CAS_RN 70185-50-1
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES C(c(c(OC)3)c(c(c2c3)OCO2)OC)(=O)C=Cc(c1)cccc1
M END
