Mol:FLIFHXNF0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 34 0 0 0 0 0 0 0 0999 V2000 | + | 29 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6517 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6517 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6517 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6517 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0954 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0954 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5391 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5391 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5391 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5391 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0954 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0954 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0172 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0172 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5735 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5735 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5735 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5735 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0172 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0172 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1296 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1296 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1296 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1296 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7244 -1.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7244 -1.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3192 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3192 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3192 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3192 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7244 -0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7244 -0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0172 -1.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0172 -1.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7514 0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7514 0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1298 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1298 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5735 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5735 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8672 -2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8672 -2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5502 -2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5502 -2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8296 -1.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8296 -1.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2289 1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2289 1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8678 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8678 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1290 0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1290 0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1888 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1888 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8685 2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8685 2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8296 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8296 1.8775 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 26 1 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNF0006 | + | ID FLIFHXNF0006 |
| − | KNApSAcK_ID C00009588 | + | KNApSAcK_ID C00009588 |
| − | NAME 12a-Hydroxyisomillettone | + | NAME 12a-Hydroxyisomillettone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C22H18O7 | + | FORMULA C22H18O7 |
| − | EXACTMASS 394.10525293 | + | EXACTMASS 394.10525293 |
| − | AVERAGEMASS 394.37412000000006 | + | AVERAGEMASS 394.37412000000006 |
| − | SMILES C(c45)(O)(C(=O)1)C(COc(cc(O6)c(OC6)c5)4)Oc(c23)c(ccc2OC(C(C)=C)C3)1 | + | SMILES C(c45)(O)(C(=O)1)C(COc(cc(O6)c(OC6)c5)4)Oc(c23)c(ccc2OC(C(C)=C)C3)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 34 0 0 0 0 0 0 0 0999 V2000
-1.6517 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0954 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5391 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5391 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0954 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5735 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5735 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1296 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1296 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7244 -1.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3192 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3192 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7244 -0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -1.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7514 0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1298 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5735 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8672 -2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5502 -2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8296 -1.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2289 1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8678 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1290 0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1888 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8685 2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8296 1.8775 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 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
8 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 14 1 0 0 0 0
1 2 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 1 1 0 0 0 0
25 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FLIFHXNF0006
KNApSAcK_ID C00009588
NAME 12a-Hydroxyisomillettone
CAS_RN -
FORMULA C22H18O7
EXACTMASS 394.10525293
AVERAGEMASS 394.37412000000006
SMILES C(c45)(O)(C(=O)1)C(COc(cc(O6)c(OC6)c5)4)Oc(c23)c(ccc2OC(C(C)=C)C3)1
M END
