Mol:FL1DA9NC0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.0705 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1437 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6951 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7836 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7836 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -1.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -1.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5225 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0940 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0940 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3057 -0.4469 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 28 1 0 0 0 0
29 34 1 0 0 0 0
27 6 1 0 0 0 0
5 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 38
M SMT 1 OCH3
M SBV 1 38 -4.8233 2.7500
S SKP 8
ID FL1DA9NC0006
KNApSAcK_ID C00007965
NAME Diuvaretin
CAS_RN 61463-04-5
FORMULA C30H28O6
EXACTMASS 484.188588628
AVERAGEMASS 484.53972000000005
SMILES c(c(Cc(c(O)2)c(O)c(C(CCc(c4)cccc4)=O)c(OC)c2Cc(c3)c(O)ccc3)1)cccc(O)1
M END
