Mol:FL7DEANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.7549 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7549 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0405 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0405 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6115 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1029 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1029 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6115 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-2.0405 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3738 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7689 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4834 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4834 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7689 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8320 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4540 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6321 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4540 1.6285 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 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 2 0 0 0 0
10 5 1 0 0 0 0
3 11 1 0 0 0 0
1 12 1 0 0 0 0
9 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
11 21 1 0 0 0 0
19 22 1 0 0 0 0
S SKP 8
ID FL7DEANS0001
KNApSAcK_ID C00014867
NAME 6,7-Dihydroxy-5,4'-dimethoxy-flavylium;Carajurin
CAS_RN -
FORMULA C17H17O5
EXACTMASS 301.10759865399996
AVERAGEMASS 301.31388
SMILES COc(c3)ccc(c3)C(C=2)=[O+1]C(=C1)C(C2)C(OC)=C(O)C(O)1
M END
