Mol:FLIAALNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8972 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4960 0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7857 1.9774 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0
12 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 1.3323 1.0861
S SKP 8
ID FLIAALNI0008
KNApSAcK_ID C00009839
NAME 2'-Methoxylupalbigenin;5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone
CAS_RN 89143-44-2
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES Oc(c3CC=C(C)C)ccc(c3OC)C(=C2)C(=O)c(c(O)1)c(O2)cc(c(CC=C(C)C)1)O
M END
