Mol:FLIDWXNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-2.9961 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9961 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3272 -0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6583 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6583 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3272 1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9894 -0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3206 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3206 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9894 1.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 -0.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0633 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7784 -0.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7784 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0633 0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9874 -0.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7406 1.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4929 -1.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 -0.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4936 0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 -1.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7406 -0.3156 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 2 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
8 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 0 0 0 0
12 17 1 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
S SKP 8
ID FLIDWXNP0001
KNApSAcK_ID C00010025
NAME Anhydrotuberosin;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene
CAS_RN 41347-49-3
FORMULA C20H16O4
EXACTMASS 320.104859
AVERAGEMASS 320.33864
SMILES c(c35)(c(oc3c(c4OC5)ccc(O)c4)1)cc(C=2)c(OC(C2)(C)C)c1
M END
