Mol:FL2FA9NI0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.5761 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.5156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0135 -0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9334 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4335 0.9691 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
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.9334 0.1031
S SKP 8
ID FL2FA9NI0019
KNApSAcK_ID C00008527
NAME Tephroleocarpin A
CAS_RN 138590-93-9
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)C=CC(C)(C)O
M END
