Mol:FL3FFANS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7916 1.9452 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
15 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
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 -1.2281 1.0455
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 -2.4197 0.77
S SKP 8
ID FL3FFANS0005
KNApSAcK_ID C00003852
NAME Isoscutellarein 7,8-dimethyl ether
CAS_RN 6608-33-9
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C=C(c(c2)ccc(O)c2)1
M END
