Mol:FL3FAAGS0045
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 53 58 0 0 0 0 0 0 0 0999 V2000 | + | 53 58 0 0 0 0 0 0 0 0999 V2000 |
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| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 29 43 1 0 0 0 0 | + | 29 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0045 | + | ID FL3FAAGS0045 |
| − | KNApSAcK_ID C00004185 | + | KNApSAcK_ID C00004185 |
| − | NAME Apigenin 7-(2'',6''-di-p-coumarylglucoside) | + | NAME Apigenin 7-(2'',6''-di-p-coumarylglucoside) |
| − | CAS_RN 87562-08-1 | + | CAS_RN 87562-08-1 |
| − | FORMULA C39H32O14 | + | FORMULA C39H32O14 |
| − | EXACTMASS 724.179205732 | + | EXACTMASS 724.179205732 |
| − | AVERAGEMASS 724.6629800000001 | + | AVERAGEMASS 724.6629800000001 |
| − | SMILES C(c(c6)ccc(c6)O)=CC(=O)O[C@@H]([C@H]5O)[C@@H](OC([C@@H]5O)COC(=O)C=Cc(c4)ccc(c4)O)Oc(c3)cc(c(c(O)3)1)OC(c(c2)ccc(c2)O)=CC(=O)1 | + | SMILES C(c(c6)ccc(c6)O)=CC(=O)O[C@@H]([C@H]5O)[C@@H](OC([C@@H]5O)COC(=O)C=Cc(c4)ccc(c4)O)Oc(c3)cc(c(c(O)3)1)OC(c(c2)ccc(c2)O)=CC(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-0.0196 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9729 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9729 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4691 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9653 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9653 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4691 0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6579 -0.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4614 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9671 0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4728 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4728 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9671 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4614 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9784 1.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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51 52 2 0 0 0 0
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50 53 1 0 0 0 0
S SKP 8
ID FL3FAAGS0045
KNApSAcK_ID C00004185
NAME Apigenin 7-(2'',6''-di-p-coumarylglucoside)
CAS_RN 87562-08-1
FORMULA C39H32O14
EXACTMASS 724.179205732
AVERAGEMASS 724.6629800000001
SMILES C(c(c6)ccc(c6)O)=CC(=O)O[C@@H]([C@H]5O)[C@@H](OC([C@@H]5O)COC(=O)C=Cc(c4)ccc(c4)O)Oc(c3)cc(c(c(O)3)1)OC(c(c2)ccc(c2)O)=CC(=O)1
M END
