Mol:FL2FA9NR0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.2178 -0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3031 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 -0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3031 0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2178 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8657 -0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8657 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3861 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 -1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9205 0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4548 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4548 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9205 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3861 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3031 -1.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2585 -0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8077 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3569 -0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3569 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8077 -1.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2585 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8077 0.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9059 -0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9059 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4548 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8029 -1.3353 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
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
6 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 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 1 0 0 0 0
26 21 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
29 30 1 0 0 0 0
26 31 2 0 0 0 0
S SKP 8
ID FL2FA9NR0003
KNApSAcK_ID C00008405
NAME Lepidissipyrone
CAS_RN 122585-68-6
FORMULA C24H22O7
EXACTMASS 422.136553058
AVERAGEMASS 422.42728
SMILES c(c3O)(C2=O)c(cc(O)c3CC(=C4O)C(OC(CC)=C4C)=O)OC(C2)c(c1)cccc1
M END
