Mol:FL5FDCNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.4107 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4107 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5046 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5046 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5233 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5233 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9368 0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0714 -0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4105 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4105 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9666 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0714 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6805 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5465 -1.9633 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
1 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 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 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
16 30 1 0 0 0 0
15 31 1 0 0 0 0
8 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 1.0134 -1.1696
S SKP 8
ID FL5FDCNP0002
KNApSAcK_ID C00005086
NAME Broussoflavonol A;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 99217-69-3
FORMULA C26H26O7
EXACTMASS 450.167853186
AVERAGEMASS 450.48043999999993
SMILES C(C)(C)(C=1)Oc(c(CC=C(C)C)2)c(c(c(C(=O)4)c(OC(=C4OC)c(c3)ccc(c(O)3)O)2)O)C1
M END
