Mol:FL2FALNP0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-3.1604 -0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1419 -1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 -1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7099 -1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6957 -0.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4214 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2811 -1.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2904 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9742 -0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4241 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 -0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8226 -0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1353 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 0.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 -2.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9441 -0.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 -2.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1353 2.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3055 2.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3055 1.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2489 -0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2779 0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6052 1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8618 1.7828 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 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 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 5 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 16 1 0 0 0 0
13 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 14 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
22 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0020
KNApSAcK_ID C00014245
NAME Sanggenol O;(2S)-5,7-Dihydroxy-bis(6'',6''-dimethylpyrano[2'',3'':2',3'][2'',3'':4',5']flavanone
CAS_RN 426211-27-0
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(C(C4)Oc(c5)c(c(cc5O)O)C4=O)(c23)cc(c1c(C=CC(C)(C)O3)2)C=CC(C)(C)O1
M END
