Mol:FLIC1LNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3745 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3745 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3745 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3745 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8182 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8182 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2619 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2619 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2619 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2619 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8182 1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8182 1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7056 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7056 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1493 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1493 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1493 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1493 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7056 1.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7056 1.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4068 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4068 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4068 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4068 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0016 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0016 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5964 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5964 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5964 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5964 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0016 0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0016 0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1912 -0.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1912 -0.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9306 1.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9306 1.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0016 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0016 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1906 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1906 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7893 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7893 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1906 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1906 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9306 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9306 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7670 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7670 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3076 -0.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3076 -0.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4068 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4068 -0.8547 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 12 25 1 0 0 0 0 | + | 12 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 27 -7.0242 4.8792 | + | M SBV 1 27 -7.0242 4.8792 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNI0002 | + | ID FLIC1LNI0002 |
| − | KNApSAcK_ID C00009732 | + | KNApSAcK_ID C00009732 |
| − | NAME alpha,alpha-dimethylallylcyclolobin | + | NAME alpha,alpha-dimethylallylcyclolobin |
| − | CAS_RN 58210-35-8 | + | CAS_RN 58210-35-8 |
| − | FORMULA C21H24O5 | + | FORMULA C21H24O5 |
| − | EXACTMASS 356.162373878 | + | EXACTMASS 356.162373878 |
| − | AVERAGEMASS 356.41226 | + | AVERAGEMASS 356.41226 |
| − | SMILES c(c(C(C)(C)C=C)1)c(C(C2)Cc(c3)c(cc(O)c3)O2)c(c(c(O)1)O)OC | + | SMILES c(c(C(C)(C)C=C)1)c(C(C2)Cc(c3)c(cc(O)c3)O2)c(c(c(O)1)O)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.3745 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3745 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8182 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2619 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2619 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8182 1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 1.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4068 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4068 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0016 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5964 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5964 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0016 0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1912 -0.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9306 1.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0016 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7893 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9306 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7670 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3076 -0.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4068 -0.8547 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
1 2 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
22 24 2 0 0 0 0
12 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 ^OCH3
M SBV 1 27 -7.0242 4.8792
S SKP 8
ID FLIC1LNI0002
KNApSAcK_ID C00009732
NAME alpha,alpha-dimethylallylcyclolobin
CAS_RN 58210-35-8
FORMULA C21H24O5
EXACTMASS 356.162373878
AVERAGEMASS 356.41226
SMILES c(c(C(C)(C)C=C)1)c(C(C2)Cc(c3)c(cc(O)c3)O2)c(c(c(O)1)O)OC
M END
