Mol:FL1C2ANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
3.0042 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0042 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5605 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1168 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1168 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5605 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8710 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4273 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3149 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7540 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3149 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7540 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2013 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3513 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3513 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2013 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2013 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2013 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4564 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4564 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0904 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7239 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9909 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6244 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9909 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8435 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6729 0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6729 0.7210 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
13 19 1 0 0 0 0
18 20 2 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
22 29 1 0 0 0 0
5 30 1 0 0 0 0
26 31 1 0 0 0 0
S SKP 8
ID FL1C2ANP0002
KNApSAcK_ID C00007144
NAME Flemingin E
CAS_RN 50886-59-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C
M END
