Mol:FL2FA9NI0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.5764 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.5728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0137 -0.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 2.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4717 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6498 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 0.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4335 0.9121 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
5 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 -1.9336 0.046
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -1.5689 -1.5911
S SKP 8
ID FL2FA9NI0017
KNApSAcK_ID C00008423
NAME Quercetol C
CAS_RN 119061-08-4
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)C2)c1C=CC(C)(C)O
M END
