Mol:FLIHBBNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0650 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0650 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0650 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0650 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5992 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5992 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1334 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1334 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1334 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1334 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5992 0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5992 0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3323 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3323 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7981 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7981 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7981 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7981 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3323 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3323 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5115 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5115 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9581 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9581 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5115 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5115 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9791 -1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9791 -1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1978 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1978 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2952 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2952 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8301 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8301 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0488 -0.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0488 -0.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7327 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7327 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3678 0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3678 0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5518 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5518 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5992 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5992 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0741 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0741 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0741 2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0741 2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3265 2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3265 2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4582 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4582 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3323 -0.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3323 -0.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1506 0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1506 0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8373 -1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8373 -1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5518 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5518 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3664 -1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3664 -1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 2 1 0 0 0 0 | + | 14 2 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 8 1 0 0 0 0 | + | 16 8 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 12 21 1 1 0 0 0 | + | 12 21 1 1 0 0 0 |
| − | 12 22 1 6 0 0 0 | + | 12 22 1 6 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 7 28 1 0 0 0 0 | + | 7 28 1 0 0 0 0 |
| − | 9 29 2 0 0 0 0 | + | 9 29 2 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -4.6939 3.7596 | + | M SBV 1 33 -4.6939 3.7596 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 35 -5.1828 4.0360 | + | M SBV 2 35 -5.1828 4.0360 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHBBNI0001 | + | ID FLIHBBNI0001 |
| − | KNApSAcK_ID C00002543 | + | KNApSAcK_ID C00002543 |
| − | NAME Lonchocarpenin | + | NAME Lonchocarpenin |
| − | CAS_RN 22263-56-5 | + | CAS_RN 22263-56-5 |
| − | FORMULA C27H28O6 | + | FORMULA C27H28O6 |
| − | EXACTMASS 448.188588628 | + | EXACTMASS 448.188588628 |
| − | AVERAGEMASS 448.50762000000003 | + | AVERAGEMASS 448.50762000000003 |
| − | SMILES c(c4)c(ccc(OC)4)C(=C(O)1)C(=O)Oc(c(CC=C(C)C)2)c1c(c(C=3)c(OC(C)(C)C3)2)OC | + | SMILES c(c4)c(ccc(OC)4)C(=C(O)1)C(=O)Oc(c(CC=C(C)C)2)c1c(c(C=3)c(OC(C)(C)C3)2)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0650 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5992 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1334 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1334 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5992 0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3323 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7981 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7981 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3323 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5115 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5115 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9791 -1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1978 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2952 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8301 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0488 -0.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7327 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3678 0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5518 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5992 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0741 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0741 2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3265 2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4582 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3323 -0.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1506 0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8373 -1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5518 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3664 -1.0195 0.0000 C 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
4 7 1 0 0 0 0
7 8 2 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
1 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 2 1 0 0 0 0
15 16 2 0 0 0 0
16 8 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 16 1 0 0 0 0
12 21 1 1 0 0 0
12 22 1 6 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
7 28 1 0 0 0 0
9 29 2 0 0 0 0
18 30 1 0 0 0 0
30 31 1 0 0 0 0
3 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 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -4.6939 3.7596
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SBV 2 35 -5.1828 4.0360
S SKP 8
ID FLIHBBNI0001
KNApSAcK_ID C00002543
NAME Lonchocarpenin
CAS_RN 22263-56-5
FORMULA C27H28O6
EXACTMASS 448.188588628
AVERAGEMASS 448.50762000000003
SMILES c(c4)c(ccc(OC)4)C(=C(O)1)C(=O)Oc(c(CC=C(C)C)2)c1c(c(C=3)c(OC(C)(C)C3)2)OC
M END
