Mol:FL3FACCS0046
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
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| − | 34 45 2 0 0 0 0 | + | 34 45 2 0 0 0 0 |
| − | 45 36 1 0 0 0 0 | + | 45 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACCS0046 | + | ID FL3FACCS0046 |
| − | KNApSAcK_ID C00011122 | + | KNApSAcK_ID C00011122 |
| − | NAME 2''-O-Feruloylorientin | + | NAME 2''-O-Feruloylorientin |
| − | CAS_RN 861691-33-0 | + | CAS_RN 861691-33-0 |
| − | FORMULA C31H28O14 | + | FORMULA C31H28O14 |
| − | EXACTMASS 624.147905604 | + | EXACTMASS 624.147905604 |
| − | AVERAGEMASS 624.5456200000001 | + | AVERAGEMASS 624.5456200000001 |
| − | SMILES C(O1)(CO)C(O)C(O)C(OC(C=Cc(c5)cc(OC)c(c5)O)=O)C(c(c4O)c(c3c(c4)O)OC(=CC3=O)c(c2)cc(c(O)c2)O)1 | + | SMILES C(O1)(CO)C(O)C(O)C(OC(C=Cc(c5)cc(OC)c(c5)O)=O)C(c(c4O)c(c3c(c4)O)OC(=CC3=O)c(c2)cc(c(O)c2)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.6182 1.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0484 2.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0484 2.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6182 3.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2847 2.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2847 2.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 1.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3815 2.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3815 2.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 3.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0199 1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0199 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6527 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2855 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2855 1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6527 2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7200 0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 3.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5 6 2 0 0 0 0
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21 22 1 1 0 0 0
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29 32 1 0 0 0 0
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41 36 1 0 0 0 0
39 42 1 0 0 0 0
38 43 1 0 0 0 0
43 44 1 0 0 0 0
34 45 2 0 0 0 0
45 36 1 0 0 0 0
S SKP 8
ID FL3FACCS0046
KNApSAcK_ID C00011122
NAME 2''-O-Feruloylorientin
CAS_RN 861691-33-0
FORMULA C31H28O14
EXACTMASS 624.147905604
AVERAGEMASS 624.5456200000001
SMILES C(O1)(CO)C(O)C(O)C(OC(C=Cc(c5)cc(OC)c(c5)O)=O)C(c(c4O)c(c3c(c4)O)OC(=CC3=O)c(c2)cc(c(O)c2)O)1
M END
