Mol:FL2FA9NM0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.4791 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0836 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3362 1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1935 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 -1.1290 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
5 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 2 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 SVB 1 22 -1.8363 0.7573
S SKP 8
ID FL2FA9NM0012
KNApSAcK_ID C00008481
NAME Leridal
CAS_RN 143084-65-5
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)C=O)O
M END
