Mol:FL1DA9NR0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-0.4209 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4209 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2936 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0081 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0081 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2936 0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0568 -0.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7328 -0.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2936 -1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 -1.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4344 -1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0572 -1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7711 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 -2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 -3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7711 -2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4856 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2000 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2000 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4856 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4856 2.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1219 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5379 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3629 1.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7719 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5308 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7193 -0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1871 2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6032 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3621 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4856 -0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9761 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 -0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2936 1.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
4 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 5 1 6 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
23 25 1 0 0 0 0
26 1 1 6 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
30 32 1 0 0 0 0
27 33 1 1 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
20 36 1 1 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
6 39 1 0 0 0 0
S SKP 8
ID FL1DA9NR0013
KNApSAcK_ID C00014612
NAME (-)-Neolinderatin;[1S-[1alpha(1R*,6R*),6beta]]-3-Phenyl-1-[2,4,6-trihydroxy-3,5-bis[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-1-propanone
CAS_RN 196089-61-9
FORMULA C35H46O4
EXACTMASS 530.33960996
AVERAGEMASS 530.73734
SMILES C(C1C(C)C)CC(C)=CC1c(c3O)c(O)c(c(c(C(C4C(C)C)C=C(C)CC4)3)O)C(=O)CCc(c2)cccc2
M END
