Mol:FLID1CGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 40 0 0 0 0 0 0 0 0999 V2000
-1.3550 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7987 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2424 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3137 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3137 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8905 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4672 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4672 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8905 0.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7985 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2424 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8943 -1.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1462 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1462 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1126 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6141 -0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4826 0.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9919 0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0907 -0.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6524 -0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3284 -0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5292 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7517 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1259 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7517 -0.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5292 1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1259 1.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9326 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9919 0.6801 0.0000 C 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 1 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
14 12 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 17 1 0 0 0 0
28 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
24 35 1 0 0 0 0
35 28 1 0 0 0 0
S SKP 8
ID FLID1CGS0004
KNApSAcK_ID C00010188
NAME Trifolirhizin 6'-monoacetate;6'-O-Acetyltrifolirhizin
CAS_RN 60679-70-1
FORMULA C24H24O11
EXACTMASS 488.13186161
AVERAGEMASS 488.44076
SMILES c(c65)(OCO6)cc(C41)c(c5)OC1c(c3OC4)ccc(c3)OC(O2)C(O)C(C(O)C2COC(C)=O)O
M END
