Mol:FLIAAANI0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.3394 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2257 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0053 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2263 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3406 -0.8025 0.0000 O 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FLIAAANI0011
KNApSAcK_ID C00009925
NAME Lupinisol A
CAS_RN 121747-99-7
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES OC(Cc(c(O)3)c(O)c(c2c3)C(C(=CO2)c(c1)cc(c(c1)O)CC=C(C)C)=O)C(C)=C
M END
