Mol:FL1DDAGS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-2.6559 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6559 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2270 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2270 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2019 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2019 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9164 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6309 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3454 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3454 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6309 2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9164 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0598 2.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3704 0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 -0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5327 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8657 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0833 0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1300 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5246 -0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1580 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0633 -1.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1520 -0.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0793 0.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0793 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5813 -2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 1.5154 0.0000 C 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
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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
5 17 1 0 0 0 0
1 20 1 0 0 0 0
3 19 1 0 0 0 0
13 18 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
20 32 1 0 0 0 0
19 33 1 0 0 0 0
17 34 1 0 0 0 0
24 18 1 0 0 0 0
S SKP 8
ID FL1DDAGS0001
KNApSAcK_ID C00014633
NAME Bidenoside B;4-Hydroxy-2',4',6'-trimethoxydihydrochalcone 4-O-glucoside
CAS_RN 698392-66-4
FORMULA C24H30O10
EXACTMASS 478.18389718
AVERAGEMASS 478.48900000000003
SMILES O(c(c2)ccc(CCC(c(c(OC)3)c(OC)cc(OC)c3)=O)c2)C(C(O)1)OC(C(O)C(O)1)CO
M END
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