Mol:FL2FQUNM0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8384 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8384 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3175 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3175 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7966 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7966 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7966 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7966 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3175 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3175 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8384 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8384 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2757 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2757 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2452 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2452 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2452 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2452 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2757 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2757 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7656 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7656 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2757 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2757 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2999 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2999 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8343 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8343 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8343 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8343 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2999 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2999 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7656 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7656 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3175 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3175 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3587 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3587 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3587 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3587 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3175 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3175 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3587 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3587 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7656 -0.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7656 -0.4623 0.0000 O 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 15 22 2 0 0 0 0 | + | 15 22 2 0 0 0 0 |
| − | 11 23 1 0 0 0 0 | + | 11 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FQUNM0003 | + | ID FL2FQUNM0003 |
| − | KNApSAcK_ID C00008422 | + | KNApSAcK_ID C00008422 |
| − | NAME Protofarrerol | + | NAME Protofarrerol |
| − | CAS_RN 24211-29-8 | + | CAS_RN 24211-29-8 |
| − | FORMULA C17H18O6 | + | FORMULA C17H18O6 |
| − | EXACTMASS 318.110338308 | + | EXACTMASS 318.110338308 |
| − | AVERAGEMASS 318.32122 | + | AVERAGEMASS 318.32122 |
| − | SMILES O=C(C3)C=CC(O)(C3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1 | + | SMILES O=C(C3)C=CC(O)(C3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8384 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3175 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7966 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7966 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3175 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8384 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2757 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2452 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2452 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2757 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2757 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2999 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8343 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8343 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2999 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3175 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3587 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3587 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3175 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3587 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 -0.4623 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
5 21 1 0 0 0 0
15 22 2 0 0 0 0
11 23 1 0 0 0 0
S SKP 8
ID FL2FQUNM0003
KNApSAcK_ID C00008422
NAME Protofarrerol
CAS_RN 24211-29-8
FORMULA C17H18O6
EXACTMASS 318.110338308
AVERAGEMASS 318.32122
SMILES O=C(C3)C=CC(O)(C3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1
M END
