Mol:FL5FAAGS0054
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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| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
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| − | 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 |
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| − | 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 |
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| − | 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 FL5FAAGS0054 | + | ID FL5FAAGS0054 |
| − | KNApSAcK_ID C00005867 | + | KNApSAcK_ID C00005867 |
| − | NAME Platanoside;Kaempferol 3-(2'',3''-di-(E)-p-coumaroylrhamnoside);3-[[6-Deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Platanoside;Kaempferol 3-(2'',3''-di-(E)-p-coumaroylrhamnoside);3-[[6-Deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 133740-25-7 | + | CAS_RN 133740-25-7 |
| − | FORMULA C39H32O14 | + | FORMULA C39H32O14 |
| − | EXACTMASS 724.179205732 | + | EXACTMASS 724.179205732 |
| − | AVERAGEMASS 724.6629800000001 | + | AVERAGEMASS 724.6629800000001 |
| − | SMILES C(c(c6)ccc(c6)O)=CC(OC(C1OC(C(=O)3)=C(c(c5)ccc(O)c5)Oc(c4)c3c(cc(O)4)O)C(OC(=O)C=Cc(c2)ccc(O)c2)C(C(O1)C)O)=O | + | SMILES C(c(c6)ccc(c6)O)=CC(OC(C1OC(C(=O)3)=C(c(c5)ccc(O)c5)Oc(c4)c3c(cc(O)4)O)C(OC(=O)C=Cc(c2)ccc(O)c2)C(C(O1)C)O)=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/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.8151 1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8151 0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2588 0.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7025 0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7025 1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2588 1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1462 0.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5899 0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5899 1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1462 1.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1462 -0.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8894 1.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3224 1.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2445 1.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2445 2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3224 2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8894 2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2588 -0.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0382 2.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3101 1.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0266 0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2420 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3862 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1869 -0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3862 0.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2420 0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7276 0.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0806 -1.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3862 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8071 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.8986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7994 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 0.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8629 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8629 -0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3454 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8278 -0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8278 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3454 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
S SKP 8
ID FL5FAAGS0054
KNApSAcK_ID C00005867
NAME Platanoside;Kaempferol 3-(2'',3''-di-(E)-p-coumaroylrhamnoside);3-[[6-Deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 133740-25-7
FORMULA C39H32O14
EXACTMASS 724.179205732
AVERAGEMASS 724.6629800000001
SMILES C(c(c6)ccc(c6)O)=CC(OC(C1OC(C(=O)3)=C(c(c5)ccc(O)c5)Oc(c4)c3c(cc(O)4)O)C(OC(=O)C=Cc(c2)ccc(O)c2)C(C(O1)C)O)=O
M END
