Mol:FL3FA9NP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-0.5851 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5851 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 0.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5584 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5583 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4711 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2915 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6271 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1355 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7486 2.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1117 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3230 2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9873 1.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7559 0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4457 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -2.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -2.6504 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 17 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 19 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 28 1 6 0 0 0
19 26 1 6 0 0 0
18 27 1 6 0 0 0
4 29 1 0 0 0 0
29 30 1 0 0 0 0
S SKP 8
ID FL3FA9NP0007
KNApSAcK_ID C00013470
NAME Multijuginol;(7aR,10S,10aS)-rel-(+)-7a,9,10,10a-Tetrahydro-10-hydroxy-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
CAS_RN 58276-83-8
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES C(O5)([H])(O1)C([H])(C(C(C)(C)5)O)c(c42)c1cc(c2C(C=C(O4)c(c3)cccc3)=O)OC
M END
