Mol:FL5FABNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.4078 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4175 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0186 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0129 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7079 -0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4438 -0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7274 -0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1292 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8440 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8369 -1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1244 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1498 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1307 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4128 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7112 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1244 -2.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7330 -2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5584 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1292 0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8450 0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8452 0.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8450 1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4702 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1059 1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5584 0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8450 2.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1305 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
9 21 1 0 0 0 0
21 22 1 0 0 0 0
23 14 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL5FABNI0003
KNApSAcK_ID C00013519
NAME Brevicornin;3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 173792-49-9
FORMULA C22H24O7
EXACTMASS 400.152203122
AVERAGEMASS 400.42176000000006
SMILES O(C)c(c3)ccc(c3)C(=C(O)1)Oc(c2CCC(OC)(C)C)c(c(O)cc2O)C1=O
M END
