Mol:FLIHALNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.4502 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1149 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7369 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8074 1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3074 2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3303 -0.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6158 -0.5640 0.0000 C 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 2 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
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
14 17 1 0 0 0 0
9 18 2 0 0 0 0
12 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -1.3303 -0.1515
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.8074 1.5913
S SKP 8
ID FLIHALNI0001
KNApSAcK_ID C00009785
NAME Glycyrin;3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin
CAS_RN 66056-18-6
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES C(=C2c(c3O)ccc(c3)O)c(c(OC)1)c(OC2=O)cc(OC)c1CC=C(C)C
M END
