Mol:FLIABCNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2648 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2648 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2648 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2648 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7085 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7085 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1522 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1522 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1522 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1522 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7085 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7085 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4041 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4041 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9604 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9604 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9604 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9604 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4041 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4041 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5165 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5165 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5165 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5165 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1113 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1113 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7061 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7061 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7061 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7061 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1113 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1113 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4041 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4041 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8757 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8757 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2533 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2533 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8757 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8757 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8954 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8954 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2165 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2165 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2165 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2165 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2541 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2541 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9371 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9371 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2165 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2165 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1449 0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1449 0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4304 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4304 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 2 0 0 0 0 | + | 8 9 2 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 2 0 0 0 0 | + | 11 12 2 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 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 14 1 0 0 0 0 | + | 26 14 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 31 -5.9458 5.1106 | + | M SBV 1 31 -5.9458 5.1106 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIABCNF0001 | + | ID FLIABCNF0001 |
| − | KNApSAcK_ID C00009509 | + | KNApSAcK_ID C00009509 |
| − | NAME Glabrescione A | + | NAME Glabrescione A |
| − | CAS_RN 65893-95-0 | + | CAS_RN 65893-95-0 |
| − | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
| − | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
| − | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
| − | SMILES c(c51)(CC(C(C)=C)O5)c(c(C2=O)c(OC=C2c(c4)cc(O3)c(c4)OC3)c1)OC | + | SMILES c(c51)(CC(C(C)=C)O5)c(c(C2=O)c(OC=C2c(c4)cc(O3)c(c4)OC3)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.2648 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2648 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1522 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1522 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4041 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9604 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9604 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4041 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5165 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5165 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1113 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7061 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7061 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1113 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4041 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8757 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8757 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8954 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2165 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2165 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2541 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9371 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2165 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1449 0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4304 -0.3286 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
8 11 1 0 0 0 0
11 12 2 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 14 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SBV 1 31 -5.9458 5.1106
S SKP 8
ID FLIABCNF0001
KNApSAcK_ID C00009509
NAME Glabrescione A
CAS_RN 65893-95-0
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES c(c51)(CC(C(C)=C)O5)c(c(C2=O)c(OC=C2c(c4)cc(O3)c(c4)OC3)c1)OC
M END
