Mol:FLID1ANP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8805 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8805 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8805 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8805 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3242 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3242 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7679 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7679 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7679 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7679 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3242 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3242 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2116 -0.6770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2116 -0.6770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3447 -0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3447 -0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3447 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3447 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2116 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2116 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9008 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9008 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9008 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9008 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0904 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0904 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0904 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0904 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2058 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2058 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4368 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4368 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3242 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3242 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8805 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8805 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4368 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4368 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4368 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4368 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0424 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0424 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9564 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9564 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8225 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8225 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 2.3279 -1.57 | + | M SVB 1 28 2.3279 -1.57 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANP0003 | + | ID FLID1ANP0003 |
| − | KNApSAcK_ID C00009643 | + | KNApSAcK_ID C00009643 |
| − | NAME Hemileiocarpin | + | NAME Hemileiocarpin |
| − | CAS_RN 66446-92-2 | + | CAS_RN 66446-92-2 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES C(C52)(COc(c54)c(c(cc4)3)C=CC(C)(C)O3)c(c1)c(O2)cc(OC)c1 | + | SMILES C(C52)(COc(c54)c(c(cc4)3)C=CC(C)(C)O3)c(c1)c(O2)cc(OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-1.8805 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8805 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7679 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7679 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2116 -0.6770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3447 -0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3447 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2116 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0904 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0904 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2058 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8805 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0424 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9564 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8225 -2.3637 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 1 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
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.3279 -1.57
S SKP 8
ID FLID1ANP0003
KNApSAcK_ID C00009643
NAME Hemileiocarpin
CAS_RN 66446-92-2
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES C(C52)(COc(c54)c(c(cc4)3)C=CC(C)(C)O3)c(c1)c(O2)cc(OC)c1
M END
