Mol:FL64A9NP0002
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3924 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3924 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8361 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8361 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2798 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2798 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2798 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2798 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8361 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8361 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2765 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2765 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8328 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8328 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8328 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8328 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2765 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2765 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3889 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3889 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9559 -0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9559 -0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5229 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5229 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5229 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5229 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9559 1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9559 1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3889 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3889 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8361 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8361 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3924 1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9487 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9487 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9487 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9487 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3020 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3020 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5229 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5229 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1599 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1599 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5546 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5546 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2725 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2725 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5580 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5580 -1.5561 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 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 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 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 7 23 1 1 0 0 0 | + | 7 23 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -8.5897 4.0481 | + | M SBV 1 26 -8.5897 4.0481 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 28 -8.5897 4.0481 | + | M SBV 2 28 -8.5897 4.0481 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64A9NP0002 | + | ID FL64A9NP0002 |
| − | KNApSAcK_ID C00008987 | + | KNApSAcK_ID C00008987 |
| − | NAME Methylhildgardtol B | + | NAME Methylhildgardtol B |
| − | CAS_RN 104777-99-3 | + | CAS_RN 104777-99-3 |
| − | FORMULA C22H24O4 | + | FORMULA C22H24O4 |
| − | EXACTMASS 352.167459256 | + | EXACTMASS 352.167459256 |
| − | AVERAGEMASS 352.42356 | + | AVERAGEMASS 352.42356 |
| − | SMILES O(c31)C(c(c4)cccc4)CC(c1c(cc(c32)OC(C=C2)(C)C)OC)OC | + | SMILES O(c31)C(c(c4)cccc4)CC(c1c(cc(c32)OC(C=C2)(C)C)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.3924 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2765 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8328 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8328 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2765 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9559 -0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9559 1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9487 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9487 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3020 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5229 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1599 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5546 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2725 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 -1.5561 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
6 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
7 23 1 1 0 0 0
23 24 1 0 0 0 0
3 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 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -8.5897 4.0481
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SBV 2 28 -8.5897 4.0481
S SKP 8
ID FL64A9NP0002
KNApSAcK_ID C00008987
NAME Methylhildgardtol B
CAS_RN 104777-99-3
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES O(c31)C(c(c4)cccc4)CC(c1c(cc(c32)OC(C=C2)(C)C)OC)OC
M END
