Mol:FLIDHXNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-2.5563 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5563 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0000 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4437 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4437 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0000 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8874 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3311 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8874 1.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2250 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2250 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8198 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4146 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4146 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8198 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8816 -0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0094 -1.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6041 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6041 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0094 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1124 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6041 -1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1124 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2878 0.6893 0.0000 O 0 0 0 0 0 0 0 0 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 1 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 1 0 0 0 0
12 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
1 22 1 0 0 0 0
19 23 1 0 0 0 0
19 24 1 0 0 0 0
8 25 1 0 0 0 0
S SKP 8
ID FLIDHXNP0003
KNApSAcK_ID C00009684
NAME Tuberosin
CAS_RN 41347-45-9
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c52)c(c(cc2C(C4)(O)C(O5)c(c3O4)ccc(O)c3)1)OC(C=C1)(C)C
M END
