Mol:FL5FAANI0010
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.0760 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3731 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3496 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3604 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3545 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7865 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0749 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7742 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4969 -1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5062 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8021 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4969 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7837 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8021 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3731 -3.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0641 -2.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2114 -1.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7742 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1994 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7702 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3412 3.7165 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 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL5FAANI0010
KNApSAcK_ID C00013516
NAME Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 229470-28-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES CC(C)=CCCC(=CCc(c31)c(cc(O)c1C(=O)C(O)=C(O3)c(c2)ccc(c2)O)O)C
M END
</pre>
