Mol:FL2F1ANP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-2.4876 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4690 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6919 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0370 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0228 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7485 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2821 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3917 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3014 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0970 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5199 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8081 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2821 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2034 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9280 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9484 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2444 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5144 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5074 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1930 0.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8798 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8613 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1558 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3583 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5144 -0.0911 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 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
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
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 2 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 8
ID FL2F1ANP0011
KNApSAcK_ID C00014229
NAME Dorsmanin B;Bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone
CAS_RN 211307-30-1
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES C(C5)c(c(OC5(C)C)4)cc(cc4)C(O3)CC(=O)c(c23)cc(c(c2)1)CCC(C)(C)O1
M END
