Mol:FL2FADNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.0639 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0639 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4987 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0743 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6087 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6087 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0743 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6087 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0634 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0634 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5838 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1047 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3411 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7672 2.3970 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
20 15 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
1 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
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 2.3411 1.4923
S SKP 8
ID FL2FADNI0003
KNApSAcK_ID C00008469
NAME Hiravanone;(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 126199-36-8
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES O(c(c3O)cc(cc3)C(O1)CC(c(c2O)c1c(c(O)c2CC=C(C)C)CC=C(C)C)=O)C
M END
