Mol:FL3FAENF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
0.0022 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0022 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7167 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4312 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4312 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7167 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5746 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5746 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1456 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7167 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2891 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0023 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2891 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1409 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5708 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2865 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5708 1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0023 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9033 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 -1.2684 0.0000 H 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 21 2 0 0 0 0
20 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 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 9 1 0 0 0 0
5 15 2 0 0 0 0
12 16 1 0 0 0 0
16 17 1 0 0 0 0
11 18 1 0 0 0 0
4 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 24 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
23 27 1 0 0 0 0
25 28 2 0 0 0 0
26 29 1 0 0 0 0
27 30 1 0 0 0 0
24 31 1 1 0 0 0
23 32 1 1 0 0 0
S SKP 8
ID FL3FAENF0001
KNApSAcK_ID C00013454
NAME Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione
CAS_RN 144049-86-5
FORMULA C22H16O8
EXACTMASS 408.08451748799996
AVERAGEMASS 408.35764000000006
SMILES OC(=C(C)5)C(C(C45[H])([H])Oc(c41)cc(O2)c(C(C=C2c(c3)ccc(c3O)OC)=O)c1O)=O
M END
