Mol:FL6FA9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6797 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6797 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0108 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0369 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5368 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5598 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8453 -1.8921 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
6 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.5598 -1.4796
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.0369 0.2633
S SKP 8
ID FL6FA9NI0001
KNApSAcK_ID C00008784
NAME 5,7-Dimethoxy-8-prenylflavan
CAS_RN 87456-68-6
FORMULA C22H26O3
EXACTMASS 338.18819469799996
AVERAGEMASS 338.44004
SMILES C(C)(C)=CCc(c12)c(cc(OC)c(CC[C@@H](c(c3)cccc3)O2)1)OC
M END
