Mol:FLIAACCS0003
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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| − | 33 8 1 0 0 0 0 | + | 33 8 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACCS0003 | + | ID FLIAACCS0003 |
| − | KNApSAcK_ID C00006145 | + | KNApSAcK_ID C00006145 |
| − | NAME Orobol 8-C-(6''-acetylglucoside) | + | NAME Orobol 8-C-(6''-acetylglucoside) |
| − | CAS_RN 118949-93-2 | + | CAS_RN 118949-93-2 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES O(C(C)=O)CC(O1)C(C(O)C(O)C(c(c23)c(O)cc(O)c(C(C(c(c4)ccc(c4O)O)=CO3)=O)2)1)O | + | SMILES O(C(C)=O)CC(O1)C(C(O)C(O)C(c(c23)c(O)cc(O)c(C(C(c(c4)ccc(c4O)O)=CO3)=O)2)1)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/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.9286 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4847 -1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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7 8 1 0 0 0 0
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1 12 1 0 0 0 0
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14 15 1 1 0 0 0
15 16 1 1 0 0 0
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18 19 1 0 0 0 0
19 14 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
19 23 1 0 0 0 0
6 17 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 28 1 0 0 0 0
31 34 1 0 0 0 0
30 35 1 0 0 0 0
33 8 1 0 0 0 0
S SKP 8
ID FLIAACCS0003
KNApSAcK_ID C00006145
NAME Orobol 8-C-(6''-acetylglucoside)
CAS_RN 118949-93-2
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES O(C(C)=O)CC(O1)C(C(O)C(O)C(c(c23)c(O)cc(O)c(C(C(c(c4)ccc(c4O)O)=CO3)=O)2)1)O
M END
