Mol:FLIAALNP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.6385 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6385 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0822 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5259 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5259 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0822 0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5867 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5867 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1428 -1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1428 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7376 -2.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3324 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3324 -1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7376 -0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 -1.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1946 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0822 -1.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1948 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2838 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0822 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5261 1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5261 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0288 2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0810 2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5261 2.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1984 -2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0644 -2.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1984 -2.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1986 -3.3561 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 2 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 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
12 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 0.4283 -1.7458
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 2.5693 -2.0215
S SKP 8
ID FLIAALNP0011
KNApSAcK_ID C00009529
NAME 1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone
CAS_RN 78876-32-1
FORMULA C27H32O7
EXACTMASS 468.214803378
AVERAGEMASS 468.53878
SMILES CC(C)(O)CCc(c42)c(c1c(O)c2C(C(=CO4)c(c3)c(cc(c3)OC)OC)=O)OC(CC1)(C)C
M END
