Mol:FLIAACNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.5615 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5615 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8146 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8146 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0036 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1178 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1176 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3768 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5978 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1920 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7850 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3768 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7850 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8146 -1.7008 0.0000 O 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 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 2 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
19 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
13 31 1 0 0 0 0
S SKP 8
ID FLIAACNP0003
KNApSAcK_ID C00009520
NAME Isoauriculasin
CAS_RN 60297-38-3
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c12)c(O4)c(C=CC4(C)C)c(c(C(C(c(c3)cc(O)c(OCC=C(C)C)c3)=CO2)=O)1)O
M END
