Mol:FL1ABCNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.2456 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3230 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 0.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2037 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 -0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2197 -0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 -1.1006 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 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 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -5.9864 5.0154
S SKP 8
ID FL1ABCNM0001
KNApSAcK_ID C00008032
NAME 6,3',4'-Trihydroxy-4-methoxy-5-methylaurone
CAS_RN 171204-57-2
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c(C)3)c(c(=O)1)c(cc(O)3)oc(=Cc(c2)cc(O)c(O)c2)1
M END
