Mol:FL3FALNR0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.1034 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2449 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2449 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 0.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -0.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3254 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6781 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2344 -0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6781 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2342 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2342 -1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7903 -0.9728 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
25 15 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
27 13 1 0 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL3FALNR0004
KNApSAcK_ID C00004099
NAME Isocyclomulberrin;(+)-3,8,10-Trihydroxy-9-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
CAS_RN 152186-79-3
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES CC(C)=CCc(c(O)1)c(c(C2=O)c(OC(c43)=C2C(C=C(C)C)Oc3cc(O)cc4)c1)O
M END
