Mol:FL1A3CGS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
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| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1A3CGS0011 | + | ID FL1A3CGS0011 |
| − | KNApSAcK_ID C00014667 | + | KNApSAcK_ID C00014667 |
| − | NAME 6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',4'',6''-tri-O-acetylglucoside);Maritimetin 6-O-(3'',4'',6''-tri-O-acetylglucoside) | + | NAME 6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',4'',6''-tri-O-acetylglucoside);Maritimetin 6-O-(3'',4'',6''-tri-O-acetylglucoside) |
| − | CAS_RN 194600-18-5 | + | CAS_RN 194600-18-5 |
| − | FORMULA C27H26O14 | + | FORMULA C27H26O14 |
| − | EXACTMASS 574.13225554 | + | EXACTMASS 574.13225554 |
| − | AVERAGEMASS 574.48694 | + | AVERAGEMASS 574.48694 |
| − | SMILES c(c23)cc(c(O)c2oc(=Cc(c4)cc(c(O)c4)O)c3=O)OC(O1)C(O)C(C(C1COC(C)=O)OC(C)=O)OC(C)=O | + | SMILES c(c23)cc(c(O)c2oc(=Cc(c4)cc(c(O)c4)O)c3=O)OC(O1)C(O)C(C(C1COC(C)=O)OC(C)=O)OC(C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 44 0 0 0 0 0 0 0 0999 V2000
-0.9753 0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9753 0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2608 -0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2608 1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4536 0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4536 0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1679 1.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8842 0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8833 0.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6597 1.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4237 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4347 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1548 -0.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8635 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8522 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1322 1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1486 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6610 -1.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.5131 -0.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1679 1.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1548 -0.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0617 0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
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22 23 1 0 0 0 0
23 24 1 0 0 0 0
17 25 1 0 0 0 0
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19 27 1 0 0 0 0
3 28 1 0 0 0 0
14 29 1 0 0 0 0
7 30 2 0 0 0 0
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24 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
2 35 1 0 0 0 0
35 20 1 0 0 0 0
26 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
25 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
S SKP 8
ID FL1A3CGS0011
KNApSAcK_ID C00014667
NAME 6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',4'',6''-tri-O-acetylglucoside);Maritimetin 6-O-(3'',4'',6''-tri-O-acetylglucoside)
CAS_RN 194600-18-5
FORMULA C27H26O14
EXACTMASS 574.13225554
AVERAGEMASS 574.48694
SMILES c(c23)cc(c(O)c2oc(=Cc(c4)cc(c(O)c4)O)c3=O)OC(O1)C(O)C(C(C1COC(C)=O)OC(C)=O)OC(C)=O
M END
