Mol:FL5F1GNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2227 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2227 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2227 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2227 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6664 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6664 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1101 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1101 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1101 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1101 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6664 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6664 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5538 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5538 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0025 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0025 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0025 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0025 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5538 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5538 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5538 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5538 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5586 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5586 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1256 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1256 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6926 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6926 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6926 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6926 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1256 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1256 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5586 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5586 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7999 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7999 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4388 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4388 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7000 0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7000 0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3152 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3152 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7000 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7000 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3152 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3152 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8664 1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8664 1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6417 1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6417 1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8685 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8685 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7345 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7345 -1.8498 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 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 |
| − | 14 21 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 0.2014 -1.056 | + | M SVB 2 30 0.2014 -1.056 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 1.409 1.6718 | + | M SVB 1 28 1.409 1.6718 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1GNF0001 | + | ID FL5F1GNF0001 |
| − | KNApSAcK_ID C00005093 | + | KNApSAcK_ID C00005093 |
| − | NAME 3'-Methoxypongapin | + | NAME 3'-Methoxypongapin |
| − | CAS_RN 60077-58-9 | + | CAS_RN 60077-58-9 |
| − | FORMULA C20H14O7 | + | FORMULA C20H14O7 |
| − | EXACTMASS 366.073952802 | + | EXACTMASS 366.073952802 |
| − | AVERAGEMASS 366.32096 | + | AVERAGEMASS 366.32096 |
| − | SMILES COc(c54)cc(cc(OCO5)4)C(O3)=C(C(=O)c(c31)ccc(o2)c1cc2)OC | + | SMILES COc(c54)cc(cc(OCO5)4)C(O3)=C(C(=O)c(c31)ccc(o2)c1cc2)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/
27 31 0 0 0 0 0 0 0 0999 V2000
-2.2227 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2227 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5586 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1256 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1256 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5586 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4388 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7000 0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7000 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8664 1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6417 1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8685 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7345 -1.8498 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 0.2014 -1.056
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.409 1.6718
S SKP 8
ID FL5F1GNF0001
KNApSAcK_ID C00005093
NAME 3'-Methoxypongapin
CAS_RN 60077-58-9
FORMULA C20H14O7
EXACTMASS 366.073952802
AVERAGEMASS 366.32096
SMILES COc(c54)cc(cc(OCO5)4)C(O3)=C(C(=O)c(c31)ccc(o2)c1cc2)OC
M END
