Mol:FL3FG8NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.4241 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4241 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9236 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4232 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4232 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9236 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5777 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5777 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0778 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0778 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9236 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5480 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1385 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1238 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7813 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2813 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1587 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6736 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2641 1.8766 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 2 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
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
12 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 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -0.6736 0.9643
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 1.1587 -0.0519
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -1.7813 0.7372
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.1385 -0.3356
S SKP 8
ID FL3FG8NS0001
KNApSAcK_ID C00001099
NAME Skullcapflavone II;Neobaicalein
CAS_RN 55084-08-7
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O
M END
