Mol:FL2FACNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.8108 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8108 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6982 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6982 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0295 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1044 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1044 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0295 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3669 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2369 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 -0.8339 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL2FACNI0003
KNApSAcK_ID C00008318
NAME Sigmoidin B
CAS_RN 87746-47-2
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c(O)3)c(O)c(c(c3)1)C(=O)CC(c(c2)cc(c(O)c(O)2)CC=C(C)C)O1
M END
