Mol:FL5F1GNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7962 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7962 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 -1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 0.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.6316 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
9 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
14 18 1 0 0 0 0
13 19 1 0 0 0 0
1 20 1 0 0 0 0
8 21 1 0 0 0 0
15 22 1 0 0 0 0
S SKP 8
ID FL5F1GNS0001
KNApSAcK_ID C00001092
NAME Robinetin
CAS_RN 490-31-3
FORMULA C15H10O7
EXACTMASS 302.042652674
AVERAGEMASS 302.2357
SMILES Oc(c3)cc(O1)c(c3)C(=O)C(O)=C1c(c2)cc(O)c(O)c(O)2
M END
