Mol:FL4DE8NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.8474 -0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1339 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1247 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4139 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4176 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3042 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0159 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2950 0.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7249 0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4403 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1538 0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1488 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4337 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7208 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3042 -2.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1247 -2.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7304 -1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4279 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1538 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4403 -0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4337 2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1339 0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7761 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7761 1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1958 2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3014 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 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
4 18 1 0 0 0 0
8 20 1 1 0 0 0
1 19 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
12 23 1 0 0 0 0
15 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL4DE8NI0001
KNApSAcK_ID C00014382
NAME Paraibanol;3,5,7,2',5'-Pentahydroxy-6-methoxy-8-prenylflavanone
CAS_RN 253786-79-7
FORMULA C21H22O8
EXACTMASS 402.13146768
AVERAGEMASS 402.39458
SMILES COc(c(O)3)c(c(c2c(CC=C(C)C)3)C(C(O)C(O2)c(c1)c(O)ccc(O)1)=O)O
M END
