Mol:FLIA1ACS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.9286 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9286 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3723 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2966 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2597 -0.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4847 -0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2597 -2.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2645 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7186 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4006 0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4006 0.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9464 0.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2645 1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4678 2.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7186 2.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7525 0.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 1.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3189 1.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3074 1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8254 1.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3074 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8984 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4272 -2.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9560 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9560 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4272 -1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8984 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 -2.6720 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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
18 22 1 0 0 0 0
6 16 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 27 1 0 0 0 0
29 33 1 0 0 0 0
32 8 1 0 0 0 0
S SKP 8
ID FLIA1ACS0002
KNApSAcK_ID C00006146
NAME Puerarin 6''-acetate
CAS_RN 124903-94-2
FORMULA C23H22O10
EXACTMASS 458.121296924
AVERAGEMASS 458.41478000000006
SMILES c(C(C4=O)=COc(c42)c(C(C(O)3)OC(COC(C)=O)C(C(O)3)O)c(cc2)O)(c1)ccc(c1)O
M END
